(2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(8-hydroxy-7,8-dihydrobenzo[a]pyren-7-yl)oxysulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CHEM346389)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:36:07 UTC | ||||||||
| Update Date | 2026-08-31 15:36:07 UTC | ||||||||
| Accession Number | CHEM346389 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(8-hydroxy-7,8-dihydrobenzo[a]pyren-7-yl)oxysulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(8-hydroxy-7,8-dihydrobenzo[a]pyren-7-yl)oxysulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is a chemical compound with the formula C30H29N3O8S. With an average molecular weight of 591.60 g/mol, (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(8-hydroxy-7,8-dihydrobenzo[a]pyren-7-yl)oxysulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H29N3O8S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 591.168 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(8-hydroxy-7,8-dihydrobenzo[a]pyren-7-yl)oxysulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(C5OSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)C=C2 | ||||||||
| InChI Identifier | InChI=1S/C30H29N3O8S/c31-21(30(39)40)9-11-24(35)33-22(29(38)32-13-25(36)37)14-42-41-28-20-12-17-5-4-15-2-1-3-16-6-7-19(27(17)26(15)16)18(20)8-10-23(28)34/h1-8,10,12,21-23,28,34H,9,11,13-14,31H2,(H,32,38)(H,33,35)(H,36,37)(H,39,40)/t21-,22-,23?,28?/m0/s1 | ||||||||
| InChI Key | FDOKFDNZZDFSTR-QMIJOYDGSA-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 |
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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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
