N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(1r,8s,11z,15s,18s,25s,26r,35r,37s,40s,46s,53s,59s)-37-[(2s)-butan-2-yl]-18-[(2s,3r)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1r)-1-hydroxyethyl]-31-[(1s)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide (CED0311396)

Record Information
Version1.0
Creation Date2026-09-01 10:06:04 UTC
Update Date2026-09-01 10:06:04 UTC
Accession NumberCHEM357167
Identification
Common NameN-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(1r,8s,11z,15s,18s,25s,26r,35r,37s,40s,46s,53s,59s)-37-[(2s)-butan-2-yl]-18-[(2s,3r)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1r)-1-hydroxyethyl]-31-[(1s)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide
ClassSmall Molecule
Description
N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(1r,8s,11z,15s,18s,25s,26r,35r,37s,40s,46s,53s,59s)-37-[(2s)-butan-2-yl]-18-[(2s,3r)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1r)-1-hydroxyethyl]-31-[(1s)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide has the chemical formula C72H85N19O18S5. With an average molecular weight of 1,665 g/mol, N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(1r,8s,11z,15s,18s,25s,26r,35r,37s,40s,46s,53s,59s)-37-[(2s)-butan-2-yl]-18-[(2s,3r)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1r)-1-hydroxyethyl]-31-[(1s)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide is a heavy molecule. This compound has been found in or released from one recorded source: Building & Construction (Tents Or Canopies).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC72H85N19O18S5
Average Molecular MassNot Available
Monoisotopic Mass1663.492 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)C(=CC)NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C
InChI IdentifierInChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-/t26-,30-,31-,32-,33+,34+,35+,39+,45+,47-,48-,49-,51-,52+,53+,71+,72+/m0/s1
InChI KeyNSFFHOGKXHRQEW-AIHSUZKVSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureKallikrein-12Q9UKR0HumansPredicted (SEA)74.6574
Epidermal growth factor receptor substrate 15 structureClick to view 3D structureEpidermal growth factor receptor substrate 15P42566HumansPredicted (SEA)263.286
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)4750.83
Lymphocyte activation gene 3 protein structureClick to view 3D structureLymphocyte activation gene 3 proteinP18627HumansPredicted (SEA)176.017
Melanoma-associated antigen 4 structureClick to view 3D structureMelanoma-associated antigen 4P43358HumansPredicted (SEA)173.604
Oxytocin receptor structureClick to view 3D structureOxytocin receptorP30559HumansPredicted (SEA)4623.7
Neutrophil elastase structureClick to view 3D structureNeutrophil elastaseP08246HumansPredicted (SEA)5878.55
Myeloblastin structureClick to view 3D structureMyeloblastinP24158HumansPredicted (SEA)974.672
Kallikrein-7 structureClick to view 3D structureKallikrein-7P49862HumansPredicted (SEA)2949.32
Kallikrein-5 structureClick to view 3D structureKallikrein-5Q9Y337HumansPredicted (SEA)3636.42
Click to view 3D structureAlpha-amylaseP56634Tenebrio molitorPredicted (SEA)221.014
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)6788.69
Relaxin-3 receptor 2 structureClick to view 3D structureRelaxin-3 receptor 2Q8TDU9HumansPredicted (SEA)229.11
Methylcytosine dioxygenase TET1 structureClick to view 3D structureMethylcytosine dioxygenase TET1Q8NFU7HumansPredicted (SEA)1540.48
Click to view 3D structureCadherin-2P19022HumansPredicted (SEA)129.541
Click to view 3D structureKallikrein-14Q9P0G3HumansPredicted (SEA)1870.02
Vasopressin V1a receptor structureClick to view 3D structureVasopressin V1a receptorP37288HumansPredicted (SEA)6468.02
Vasopressin V2 receptor structureClick to view 3D structureVasopressin V2 receptorP30518HumansPredicted (SEA)5772.6
Click to view 3D structureVasopressin V1b receptorP47901HumansPredicted (SEA)4627.51
Click to view 3D structureSPRY domain-containing SOCS box protein 2O88838Mus musculusPredicted (SEA)537.393
Calcium and integrin-binding protein 1 structureClick to view 3D structureCalcium and integrin-binding protein 1Q99828HumansPredicted (SEA)276.287
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)7033.6
Click to view 3D structure1,3-beta-glucan synthase component GSC2P40989Baker's yeastPredicted (SEA)324.398
Click to view 3D structureAureobasidin-resistance proteinQ9Y745Neosartorya fumigata (Aspergillus fumigatus)Predicted (SEA)545.49
Guanine nucleotide-binding protein subunit alpha-11 structureClick to view 3D structureGuanine nucleotide-binding protein subunit alpha-11P29992HumansPredicted (SEA)278.155
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available