methyl 3-[7-[[4-[4-[azanyl-[azanyl-(2-methylphenyl)carbamoyl]amino]phenyl]-2-methyl-3-oxidanylidene-butan-2-yl]amino]-4-(3-azanyloxy-3-oxidanylidene-propyl)-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[7-[[4-[4-[azanyl-[azanyl-(2-methylphenyl)carbamoyl]amino]phenyl]-2-methyl-3-oxidanylidene-butan-2-yl]amino]-4-(3-azanyloxy-3-oxidanylidene-propyl)-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[7-[[3-[4-[amino-[amino(o-tolyl)carbamoyl]amino]phenyl]-1,1-dimethyl-2-oxo-propyl]amino]-4-(3-aminooxy-3-oxo-propyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-1-yl]-3-oxo-propanoate CAS Name: 3-[7-[[4-[4-[amino-[(N-amino-2-methylanilino)-oxomethyl]amino]phenyl]-2-methyl-3-oxobutan-2-yl]amino]-4-(3-aminooxy-3-oxopropyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-1-yl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[7-[[4-[4-[amino-[amino-(2-methylphenyl)carbamoyl]amino]phenyl]-2-methyl-3-oxobutan-2-yl]amino]-4-(3-aminooxy-3-oxopropyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-1-yl]-3-oxopropanoate Traditional Name: 3-[7-[[3-[4-[amino-[amino(o-tolyl)carbamoyl]amino]phenyl]-2-keto-1,1-dimethyl-propyl]amino]-4-(3-aminooxy-3-keto-propyl)-3-keto-2,5-dihydro-1,4-benzodiazepin-1-yl]-3-keto-propionic acid methyl ester Formula: C35H42N8O8 MolecularWeight: 702.75678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(=O)N(C2=CC=C(C=C2)CC(=O)C(C)(C)NC3=CC4=C(C=C3)N(CC(=O)N(C4)CCC(=O)ON)C(=O)CC(=O)OC)N)N

Isomeric SMILES

CC1=CC=CC=C1N(C(=O)N(C2=CC=C(C=C2)CC(=O)C(C)(C)NC3=CC4=C(C=C3)N(CC(=O)N(C4)CCC(=O)ON)C(=O)CC(=O)OC)N)N

InChI

InChI=1S/C35H42N8O8/c1-22-7-5-6-8-27(22)43(37)34(49)42(36)26-12-9-23(10-13-26)17-29(44)35(2,3)39-25-11-14-28-24(18-25)20-40(16-15-32(47)51-38)31(46)21-41(28)30(45)19-33(48)50-4/h5-14,18,39H,15-17,19-21,36-38H2,1-4H3