(2s)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]propanoic acid (CHEM336587)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 00:28:32 UTC | ||||||||
| Update Date | 2026-08-31 00:28:32 UTC | ||||||||
| Accession Number | CHEM336587 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]propanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H39Cl2N5O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 531.238 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]propanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C(C(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O)NC(=O)C(CCCCN)N | ||||||||
| InChI Identifier | InChI=1S/C24H39Cl2N5O4/c1-16(2)21(30-22(32)19(28)5-3-4-12-27)23(33)29-20(24(34)35)15-17-6-8-18(9-7-17)31(13-10-25)14-11-26/h6-9,16,19-21H,3-5,10-15,27-28H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)/t19-,20-,21-/m0/s1 | ||||||||
| InChI Key | SLDGMZUOLKNCJU-ACRUOGEOSA-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 | ||||||||
