(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid (CHEM358536)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 12:00:18 UTC | ||||||||
| Update Date | 2026-09-01 12:00:18 UTC | ||||||||
| Accession Number | CHEM358536 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358536: (2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C83H124N16O18S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1696.872 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)N | ||||||||
| InChI Identifier | InChI=1S/C83H124N16O18S2/c1-13-48(10)68(97-76(109)61(40-52-41-86-55-28-21-20-27-53(52)55)92-72(105)57(32-34-119-12)87-73(106)59(36-45(4)5)90-74(107)58(35-44(2)3)89-70(103)54(84)42-100)80(113)98-69(49(11)101)81(114)88-56(30-31-66(85)102)71(104)95-64(43-118)77(110)91-60(38-50-23-16-14-17-24-50)75(108)93-62(37-46(6)7)82(115)99-33-22-29-65(99)78(111)96-67(47(8)9)79(112)94-63(83(116)117)39-51-25-18-15-19-26-51/h14-21,23-28,41,44-49,54,56-65,67-69,86,100-101,118H,13,22,29-40,42-43,84H2,1-12H3,(H2,85,102)(H,87,106)(H,88,114)(H,89,103)(H,90,107)(H,91,110)(H,92,105)(H,93,108)(H,94,112)(H,95,104)(H,96,111)(H,97,109)(H,98,113)(H,116,117)/t48-,49?,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-/m0/s1 | ||||||||
| InChI Key | SWMCSRIUJLTUKL-FHUPKDODSA-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 | |||||||||
| Spectra | |||||||||
| 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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
