4-[1-methyl-7-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoic acid

Systemtic Name: 4-[1-methyl-7-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 4-[1-methyl-7-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 4-[1-methyl-7-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 4-[1-methyl-7-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 4-[2,5-diketo-1-methyl-7-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C30H31N5O6 MolecularWeight: 557.59704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC4=C(C=C3)N(C(=O)CN(C4=O)CCCC(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC4=C(C=C3)N(C(=O)CN(C4=O)CCCC(=O)O)C

InChI

InChI=1S/C30H31N5O6/c1-19-6-3-4-7-24(19)33-30(41)32-21-11-9-20(10-12-21)16-26(36)31-22-13-14-25-23(17-22)29(40)35(15-5-8-28(38)39)18-27(37)34(25)2/h3-4,6-7,9-14,17H,5,8,15-16,18H2,1-2H3,(H,31,36)(H,38,39)(H2,32,33,41)