tert-butyl 1-(chloromethyl)-7-[[4-[[2-[[2-[[2-[[2-[[1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-7-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]amino]-4-oxidanylidene-butanoyl]amino]-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 1-(chloromethyl)-7-[[4-[[2-[[2-[[2-[[2-[[1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-7-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]amino]-4-oxidanylidene-butanoyl]amino]-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 5-benzyloxy-7-[[4-[[2-[[2-[[2-[[2-[[5-benzyloxy-3-tert-butoxycarbonyl-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-7-yl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]amino]-4-oxo-butanoyl]amino]-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 1-(chloromethyl)-7-[[4-[[2-[[[2-[[[2-[[2-[[1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-7-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-1,4-dioxobutyl]amino]-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(chloromethyl)-7-[[4-[[2-[[2-[[2-[[2-[[1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-7-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxobutanoyl]amino]-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 5-benzoxy-7-[[4-[[2-[[2-[[2-[[2-[[5-benzoxy-3-tert-butoxycarbonyl-1-(chloromethyl)-1,2-dihydrobenz[e]indol-7-yl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]amino]-4-keto-butanoyl]amino]-1-(chloromethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C68H72Cl2N12O12 MolecularWeight: 1320.27848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C3C=CC(=CC3=C(C=C21)OCC4=CC=CC=C4)NC(=O)CCC(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=N6)C(=O)NCC(=O)NCC(=O)NC7=CC8=C(C=C9C(=C8C=C7)C(CN9C(=O)OC(C)(C)C)CCl)OCC1=CC=CC=C1)C)C)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C3C=CC(=CC3=C(C=C21)OCC4=CC=CC=C4)NC(=O)CCC(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=N6)C(=O)NCC(=O)NCC(=O)NC7=CC8=C(C=C9C(=C8C=C7)C(CN9C(=O)OC(C)(C)C)CCl)OCC1=CC=CC=C1)C)C)CCl

InChI

InChI=1S/C68H72Cl2N12O12/c1-67(2,3)93-65(89)81-33-41(29-69)59-45-21-19-43(25-47(45)51(27-49(59)81)91-37-39-15-11-9-12-16-39)73-55(83)23-24-56(84)75-53-35-80(8)62(76-53)64(88)78-54-36-79(7)61(77-54)63(87)72-31-57(85)71-32-58(86)74-44-20-22-46-48(26-44)52(92-38-40-17-13-10-14-18-40)28-50-60(46)42(30-70)34-82(50)66(90)94-68(4,5)6/h9-22,25-28,35-36,41-42H,23-24,29-34,37-38H2,1-8H3,(H,71,85)(H,72,87)(H,73,83)(H,74,86)(H,75,84)(H,78,88)