(2s)-2-[[(2r)-2-amino-3-(3,4-dichlorophenyl)propanoyl]amino]-n-[(2r)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[(2r)-2-amino-6-(pyridine-3-carbonylamino)hexanoyl]pyrrolidine-2-carbonyl]-[(2s)-1-[(2s)-2-amino-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]butanediamide (CHEM358552)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 12:01:28 UTC | ||||||||
| Update Date | 2026-09-01 12:01:28 UTC | ||||||||
| Accession Number | CHEM358552 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-2-[[(2r)-2-amino-3-(3,4-dichlorophenyl)propanoyl]amino]-n-[(2r)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[(2r)-2-amino-6-(pyridine-3-carbonylamino)hexanoyl]pyrrolidine-2-carbonyl]-[(2s)-1-[(2s)-2-amino-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]butanediamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358552: (2s)-2-[[(2r)-2-amino-3-(3,4-dichlorophenyl)propanoyl]amino]-n-[(2r)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[(2r)-2-amino-6-(pyridine-3-carbonylamino)hexanoyl]pyrrolidine-2-carbonyl]-[(2s)-1-[(2s)-2-amino-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]butanediamide
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C86H104Cl2N18O13 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1666.741 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCC(C(=O)N(C(=O)C1CCCN1C(=O)C(CCCCNC(=O)C2=CN=CC=C2)N)C(=O)C3CCCN3C(=O)C(CC4=CN=CC=C4)N)NC(=O)C(CC(C)C)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC(=C(C=C1)Cl)Cl)N | ||||||||
| InChI Identifier | InChI=1S/C86H104Cl2N18O13/c1-4-5-26-66(84(117)106(86(119)73-30-18-37-105(73)83(116)63(91)41-53-21-15-33-93-46-53)85(118)72-29-17-36-104(72)82(115)61(89)25-13-14-35-95-75(108)54-22-16-34-94-47-54)98-77(110)67(38-50(2)3)100-79(112)69(43-55-48-96-64-27-11-9-23-57(55)64)102-78(111)68(42-51-19-7-6-8-20-51)101-80(113)70(44-56-49-97-65-28-12-10-24-58(56)65)103-81(114)71(45-74(92)107)99-76(109)62(90)40-52-31-32-59(87)60(88)39-52/h6-12,15-16,19-24,27-28,31-34,39,46-50,61-63,66-73,96-97H,4-5,13-14,17-18,25-26,29-30,35-38,40-45,89-91H2,1-3H3,(H2,92,107)(H,95,108)(H,98,110)(H,99,109)(H,100,112)(H,101,113)(H,102,111)(H,103,114)/t61-,62-,63+,66+,67+,68+,69-,70-,71+,72+,73+/m1/s1 | ||||||||
| InChI Key | AZZJAARMZMEIHY-BBKUSFMUSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
