Products 2259318-49-3
CAS 2259318-49-3 is the registry number for Mal-PEG4-VC-PAB-DMEA-Seco-Duocarmycin SA. Offered by: MedChemExpress. Available pack sizes: Get quote.
Methyl (8S)-4-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate (CAS 2259318-49-3) is a chemical compound with the molecular formula C67H87ClN12O21 and a molecular weight of 1431.9 g/mol. IUPAC name: methyl (8S)-4-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate. InChIKey: OUKLXONEOKZQFG-YUOCBUPLSA-N.
| Molecular formula | C67H87ClN12O21 |
|---|---|
| Molecular weight | 1431.9 g/mol |
| IUPAC name | methyl (8S)-4-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate |
| InChIKey | OUKLXONEOKZQFG-YUOCBUPLSA-N |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)N(C)CCN(C)C(=O)OC2=C3C(=C4[C@@H](CN(C4=C2)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CCl)C=C(N3)C(=O)OC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN7C(=O)C=CC7=O |
Computed by PubChem (NCBI)