2-[7-[(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)carbonylamino]-1-methyl-5-oxidanylidene-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)carbonylamino]-1-methyl-5-oxidanylidene-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-benzyloxycarbonyl-2-carbamimidoyl-benzoyl)amino]-1-methyl-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[[(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-oxomethyl]amino]-1-methyl-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-[(2-carbamimidoyl-4-phenylmethoxycarbonylbenzoyl)amino]-1-methyl-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-[(2-amidino-4-carbobenzoxy-benzoyl)amino]-5-keto-1-methyl-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid Formula: C36H35N5O6 MolecularWeight: 633.693

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N)CCC5=CC=CC=C5)CC(=O)O

Isomeric SMILES

CN1C(CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N)CCC5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C36H35N5O6/c1-40-27(20-32(42)43)21-41(17-16-23-8-4-2-5-9-23)35(45)30-19-26(13-15-31(30)40)39-34(44)28-14-12-25(18-29(28)33(37)38)36(46)47-22-24-10-6-3-7-11-24/h2-15,18-19,27H,16-17,20-22H2,1H3,(H3,37,38)(H,39,44)(H,42,43)