(3s)-3-[[(2s)-2-[[(2s)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1h-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2s)-1-[[(1s)-1-[[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (CHEM220353)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 19:32:53 UTC | ||||||||
| Update Date | 2026-08-22 19:32:53 UTC | ||||||||
| Accession Number | CHEM220353 | ||||||||
| Identification | |||||||||
| Common Name | (3s)-3-[[(2s)-2-[[(2s)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1h-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2s)-1-[[(1s)-1-[[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (3s)-3-[[(2s)-2-[[(2s)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1h-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2s)-1-[[(1s)-1-[[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid has the chemical formula C53H71N9O15S. With an average molecular weight of 1,106 g/mol, (3s)-3-[[(2s)-2-[[(2s)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1h-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2s)-1-[[(1s)-1-[[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM220353: (3s)-3-[[(2s)-2-[[(2s)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1h-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2s)-1-[[(1s)-1-[[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C53H71N9O15S | ||||||||
| Average Molecular Mass | 1106.200 g/mol | ||||||||
| Monoisotopic Mass | 1105.479 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (3S)-3-[[(2S)-2-[[(2S)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C53H71N9O15S/c1-7-9-20-42(62(6)51(71)41(56-45(64)30-43(54)63)28-34-31-55-37-19-15-14-18-36(34)37)50(70)58-40(29-46(65)66)47(67)57-38(26-32-16-12-11-13-17-32)48(68)60-44(21-10-8-2)61-49(69)39(59-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75/h11-19,22-25,31,38-42,44,55H,7-10,20-21,26-30H2,1-6H3,(H2,54,63)(H,56,64)(H,57,67)(H,58,70)(H,59,72)(H,60,68)(H,61,69)(H,65,66)(H,73,74,75)/t38-,39-,40-,41-,42-,44-/m0/s1 | ||||||||
| InChI Key | LEXXPLMUWFLNAN-OZUMUDGSSA-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 | ||||||||
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| Predicted Properties | Not Available | ||||||||
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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
