2-[8-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[(4-amidinobenzoyl)amino]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H27N5O4/c28-25(29)18-6-8-19(9-7-18)26(35)30-21-11-10-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-21/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)