3-[1-(2-methoxyethyl)-7-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[1-(2-methoxyethyl)-7-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[1-(2-methoxyethyl)-7-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[1-(2-methoxyethyl)-7-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[1-(2-methoxyethyl)-7-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[3-keto-1-(2-methoxyethyl)-7-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-2,5-dihydro-1,4-benzodiazepin-4-yl]propionic acid Formula: C31H35N5O6 MolecularWeight: 573.6395

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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(CC(=O)N(C4)CCC(=O)O)CCOC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC4=C(C=C3)N(CC(=O)N(C4)CCC(=O)O)CCOC

InChI

InChI=1S/C31H35N5O6/c1-21-5-3-4-6-26(21)34-31(41)33-24-9-7-22(8-10-24)17-28(37)32-25-11-12-27-23(18-25)19-36(14-13-30(39)40)29(38)20-35(27)15-16-42-2/h3-12,18H,13-17,19-20H2,1-2H3,(H,32,37)(H,39,40)(H2,33,34,41)