tert-butyl 2-[[4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[4-[[4-[7-acetamido-5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-4-oxo-butanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]acetate CAS Name: 2-[[[4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-1,4-dioxobutyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]acetate Traditional Name: 2-[[4-[[4-[7-acetamido-5-benzoxy-1-(chloromethyl)-1,2-dihydrobenz[e]indol-3-yl]-4-keto-butanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]acetic acid tert-butyl ester Formula: C38H42ClN5O7 MolecularWeight: 716.22238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCC(=O)NC4=CN(C(=C4)C(=O)NCC(=O)OC(C)(C)C)C)CCl)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCC(=O)NC4=CN(C(=C4)C(=O)NCC(=O)OC(C)(C)C)C)CCl)OCC5=CC=CC=C5

InChI

InChI=1S/C38H42ClN5O7/c1-23(45)41-26-11-12-28-29(15-26)32(50-22-24-9-7-6-8-10-24)17-30-36(28)25(18-39)20-44(30)34(47)14-13-33(46)42-27-16-31(43(5)21-27)37(49)40-19-35(48)51-38(2,3)4/h6-12,15-17,21,25H,13-14,18-20,22H2,1-5H3,(H,40,49)(H,41,45)(H,42,46)