4-[[2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 4-[[2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 4-[[1-[2-(N-isopropylanilino)-2-oxo-ethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 4-[[[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 4-[[1-[2-(N-isopropylanilino)-2-keto-ethyl]-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C34H31N5O6 MolecularWeight: 605.63984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C34H31N5O6/c1-22(2)38(25-11-5-3-6-12-25)29(40)21-37-27-15-9-10-16-28(27)39(26-13-7-4-8-14-26)32(42)30(31(37)41)36-34(45)35-24-19-17-23(18-20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)