(2s)-5-carbamimidamido-2-[[(4r,7s,10s,13s,19s,22s,25s,28s,31r)-7,19,22-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-10,25-bis(3-carbamimidamidopropyl)-13,28-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carbonyl]amino]pentanoic acid (CHEM358549)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 12:01:11 UTC | ||||||||
| Update Date | 2026-09-01 12:01:11 UTC | ||||||||
| Accession Number | CHEM358549 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-5-carbamimidamido-2-[[(4r,7s,10s,13s,19s,22s,25s,28s,31r)-7,19,22-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-10,25-bis(3-carbamimidamidopropyl)-13,28-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carbonyl]amino]pentanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358549: (2s)-5-carbamimidamido-2-[[(4r,7s,10s,13s,19s,22s,25s,28s,31r)-7,19,22-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-10,25-bis(3-carbamimidamidopropyl)-13,28-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carbonyl]amino]pentanoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C85H137N33O17S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1956.031 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)NC(CCCNC(=N)N)C(=O)O)CCCCN)CCCNC(=N)N)CC2=CC=C(C=C2)O)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N | ||||||||
| InChI Identifier | InChI=1S/C85H137N33O17S2/c86-32-6-3-17-55-69(123)106-44-67(121)107-62(40-47-24-28-50(119)29-25-47)75(129)112-59(21-11-37-102-83(94)95)71(125)111-57(19-5-8-34-88)74(128)117-65(78(132)114-61(80(134)135)23-13-39-104-85(98)99)45-136-137-46-66(79(133)115-63(41-48-26-30-51(120)31-27-48)76(130)113-60(22-12-38-103-84(96)97)72(126)110-56(70(124)109-55)18-4-7-33-87)118-77(131)64(42-49-43-105-54-16-2-1-14-52(49)54)116-73(127)58(20-10-36-101-82(92)93)108-68(122)53(89)15-9-35-100-81(90)91/h1-2,14,16,24-31,43,53,55-66,105,119-120H,3-13,15,17-23,32-42,44-46,86-89H2,(H,106,123)(H,107,121)(H,108,122)(H,109,124)(H,110,126)(H,111,125)(H,112,129)(H,113,130)(H,114,132)(H,115,133)(H,116,127)(H,117,128)(H,118,131)(H,134,135)(H4,90,91,100)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)/t53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | ||||||||
| InChI Key | DHLNQBGKTBJPSZ-SKPGKBGKSA-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 | ||||||||
