(2s)-1-[(2s)-2-[[(2s)-1-[2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-5-amino-2-[[(2s)-5-carbamimidamido-2-[[(2s)-5-carbamimidamido-2-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1h-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid (CHEM358561)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 12:02:19 UTC | ||||||||
| Update Date | 2026-09-01 12:02:19 UTC | ||||||||
| Accession Number | CHEM358561 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-1-[(2s)-2-[[(2s)-1-[2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-5-amino-2-[[(2s)-5-carbamimidamido-2-[[(2s)-5-carbamimidamido-2-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1h-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358561: (2s)-1-[(2s)-2-[[(2s)-1-[2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-5-amino-2-[[(2s)-5-carbamimidamido-2-[[(2s)-5-carbamimidamido-2-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1h-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C87H147N33O19S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1990.127 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CNC=N1)C(=O)NC(CCCCN)C(=O)NCC(=O)N2CCCC2C(=O)NC(CCSC)C(=O)N3CCCC3C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C4CCCN4C(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCCCN)N | ||||||||
| InChI Identifier | InChI=1S/C87H147N33O19S/c1-49(2)42-60(75(130)117-63(47-121)78(133)116-62(44-51-45-100-48-106-51)77(132)107-53(21-8-10-33-89)70(125)105-46-68(123)118-38-15-26-64(118)79(134)113-59(31-41-140-3)82(137)120-40-17-28-66(120)83(138)139)115-73(128)56(24-13-36-103-86(96)97)111-80(135)65-27-16-39-119(65)81(136)58(25-14-37-104-87(98)99)112-74(129)57(29-30-67(91)122)110-72(127)54(22-11-34-101-84(92)93)108-71(126)55(23-12-35-102-85(94)95)109-76(131)61(43-50-18-5-4-6-19-50)114-69(124)52(90)20-7-9-32-88/h4-6,18-19,45,48-49,52-66,121H,7-17,20-44,46-47,88-90H2,1-3H3,(H2,91,122)(H,100,106)(H,105,125)(H,107,132)(H,108,126)(H,109,131)(H,110,127)(H,111,135)(H,112,129)(H,113,134)(H,114,124)(H,115,128)(H,116,133)(H,117,130)(H,138,139)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | ||||||||
| InChI Key | ZGFPLFJKWXQONA-ORCNDFFUSA-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 | ||||||||
