2-[7-[(4-carbamimidoylphenyl)carbonylamino]-1-ethanoyl-5-oxidanylidene-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-1-ethanoyl-5-oxidanylidene-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[1-acetyl-7-[(4-carbamimidoylbenzoyl)amino]-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[1-acetyl-7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[1-acetyl-7-[(4-carbamimidoylbenzoyl)amino]-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[1-acetyl-7-[(4-amidinobenzoyl)amino]-5-keto-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid Formula: C29H29N5O5 MolecularWeight: 527.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC(=O)N1C(CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C29H29N5O5/c1-18(35)34-23(16-26(36)37)17-33(14-13-19-5-3-2-4-6-19)29(39)24-15-22(11-12-25(24)34)32-28(38)21-9-7-20(8-10-21)27(30)31/h2-12,15,23H,13-14,16-17H2,1H3,(H3,30,31)(H,32,38)(H,36,37)