2-[3-[(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)carbonylamino]-5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[3-[(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)carbonylamino]-5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[3-[(4-benzyloxycarbonyl-2-carbamimidoyl-benzoyl)amino]-5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[3-[[(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-oxomethyl]amino]-5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[3-[(2-carbamimidoyl-4-phenylmethoxycarbonylbenzoyl)amino]-5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-[(2-amidino-4-carbobenzoxy-benzoyl)amino]-5-keto-1,2,3,4-tetrahydro-1,4-benzodiazepin-2-yl]acetate Formula: C27H24N5O6- MolecularWeight: 514.50936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)C(=O)NC3C(NC4=CC=CC=C4C(=O)N3)CC(=O)[O-])C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)C(=O)NC3C(NC4=CC=CC=C4C(=O)N3)CC(=O)[O-])C(=N)N

InChI

InChI=1S/C27H25N5O6/c28-23(29)19-12-16(27(37)38-14-15-6-2-1-3-7-15)10-11-17(19)25(35)31-24-21(13-22(33)34)30-20-9-5-4-8-18(20)26(36)32-24/h1-12,21,24,30H,13-14H2,(H3,28,29)(H,31,35)(H,32,36)(H,33,34)/p-1