Products 1049811-71-3
CAS 1049811-71-3 is the registry number for Duocarmycin analog-3. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(1S)-3-[5-[(4-aminobenzoyl)amino]-1H-indole-2-carbonyl]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate (CAS 1049811-71-3) is a chemical compound with the molecular formula C35H33ClN6O4 and a molecular weight of 637.1 g/mol. IUPAC name: [(1S)-3-[5-[(4-aminobenzoyl)amino]-1H-indole-2-carbonyl]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate. InChIKey: XHPMXBJDPYCCKO-HSZRJFAPSA-N.
| Molecular formula | C35H33ClN6O4 |
|---|---|
| Molecular weight | 637.1 g/mol |
| IUPAC name | [(1S)-3-[5-[(4-aminobenzoyl)amino]-1H-indole-2-carbonyl]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate |
| InChIKey | XHPMXBJDPYCCKO-HSZRJFAPSA-N |
| SMILES | CN1CCN(CC1)C(=O)OC2=CC3=C([C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)C6=CC=C(C=C6)N)CCl)C7=CC=CC=C72 |
Computed by PubChem (NCBI)
Synonyms:
orb3181623