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

Systemtic Name: 4-[2-[2,4-bis(oxidanylidene)-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]ethanoyl-propan-2-yl-amino]benzoic acid Openeye Name: 4-[[2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]acetyl]-isopropyl-amino]benzoic acid CAS Name: 4-[[2-[3-[[anilino(oxo)methyl]amino]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-1-oxoethyl]-propan-2-ylamino]benzoic acid IUPAC Name: 4-[[2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]acetyl]-propan-2-ylamino]benzoic acid Traditional Name: 4-[[2-[2,4-diketo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]acetyl]-isopropyl-amino]benzoic acid Formula: C34H31N5O6 MolecularWeight: 605.63984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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