(4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CHEM344317)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 12:26:52 UTC | ||||||||
| Update Date | 2026-08-31 12:26:52 UTC | ||||||||
| Accession Number | CHEM344317 | ||||||||
| Identification | |||||||||
| Common Name | (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is a compound with the formula C28H34ClN7O6S. With an average molecular weight of 632.10 g/mol, (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-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 | C28H34ClN7O6S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 631.198 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1CCN(CC1)C2=NC3=C(C(=CC(=C3)Cl)SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N)NC4=CC=CC=C42 | ||||||||
| InChI Identifier | InChI=1S/C28H34ClN7O6S/c1-35-8-10-36(11-9-35)26-17-4-2-3-5-19(17)32-25-20(33-26)12-16(29)13-22(25)43-15-21(28(42)31-14-24(39)40)34-27(41)18(30)6-7-23(37)38/h2-5,12-13,18,21,32H,6-11,14-15,30H2,1H3,(H,31,42)(H,34,41)(H,37,38)(H,39,40)/t18-,21-/m0/s1 | ||||||||
| InChI Key | ACAYKYZTNOYVMH-RXVVDRJESA-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 | ||||||||
