(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-1-[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(3s,6s,9r,14r,17s,20s,23s)-9-[[(2s)-2-aminopropanoyl]amino]-20-(3-carbamimidamidopropyl)-6-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-3-methyl-2,5,8,16,19,22-hexaoxo-11,12-dithia-1,4,7,15,18,21-hexazabicyclo[21.3.0]hexacosane-14-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1h-imidazol-4-yl)propanoic acid (CHEM358516)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 11:58:38 UTC | ||||||||
| Update Date | 2026-09-01 11:58:38 UTC | ||||||||
| Accession Number | CHEM358516 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-1-[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(3s,6s,9r,14r,17s,20s,23s)-9-[[(2s)-2-aminopropanoyl]amino]-20-(3-carbamimidamidopropyl)-6-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-3-methyl-2,5,8,16,19,22-hexaoxo-11,12-dithia-1,4,7,15,18,21-hexazabicyclo[21.3.0]hexacosane-14-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1h-imidazol-4-yl)propanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358516: (2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-1-[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(3s,6s,9r,14r,17s,20s,23s)-9-[[(2s)-2-aminopropanoyl]amino]-20-(3-carbamimidamidopropyl)-6-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-3-methyl-2,5,8,16,19,22-hexaoxo-11,12-dithia-1,4,7,15,18,21-hexazabicyclo[21.3.0]hexacosane-14-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1h-imidazol-4-yl)propanoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C80H112N22O21S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1780.781 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CO)NC(=O)C(C)N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(CC6=CC=C(C=C6)O)C(=O)NC(CC7=CNC=N7)C(=O)O)CC8=CC=C(C=C8)O)CCCNC(=N)N | ||||||||
| InChI Identifier | InChI=1S/C80H112N22O21S2/c1-42(82)65(108)98-59-39-124-125-40-60(99-70(113)55(34-45-16-22-49(105)23-17-45)93-66(109)51(10-5-29-87-80(84)85)91-74(117)61-11-6-30-100(61)76(119)43(2)89-71(114)58(38-103)97-73(59)116)72(115)94-54(33-44-14-20-48(104)21-15-44)68(111)90-52(26-27-64(83)107)67(110)92-53(9-3-4-28-81)77(120)102-32-8-13-63(102)78(121)101-31-7-12-62(101)75(118)95-56(35-46-18-24-50(106)25-19-46)69(112)96-57(79(122)123)36-47-37-86-41-88-47/h14-25,37,41-43,51-63,103-106H,3-13,26-36,38-40,81-82H2,1-2H3,(H2,83,107)(H,86,88)(H,89,114)(H,90,111)(H,91,117)(H,92,110)(H,93,109)(H,94,115)(H,95,118)(H,96,112)(H,97,116)(H,98,108)(H,99,113)(H,122,123)(H4,84,85,87)/t42-,43-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | ||||||||
| InChI Key | UUTLJGUXRVWOSI-YYXAXUJHSA-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 | ||||||||
