3-[[1-(1-azanyl-3-methyl-1-oxidanylidene-2-phenyl-butan-2-yl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-(1-azanyl-3-methyl-1-oxidanylidene-2-phenyl-butan-2-yl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(1-carbamoyl-2-methyl-1-phenyl-propyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-(1-carbamoyl-2-methyl-1-phenyl-propyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C34H31N5O5 MolecularWeight: 589.64044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)N)N2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)N)N2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C34H31N5O5/c1-21(2)34(32(35)43,24-15-7-4-8-16-24)39-27-19-10-9-18-26(27)28(22-12-5-3-6-13-22)37-29(30(39)40)38-33(44)36-25-17-11-14-23(20-25)31(41)42/h3-21,29H,1-2H3,(H2,35,43)(H,41,42)(H2,36,38,44)