(phenylmethyl) 3-carbamimidoyl-4-[[2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-[[2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]carbamoyl]benzoate Openeye Name: benzyl 3-carbamimidoyl-4-[[2-(2-methoxy-2-oxo-ethyl)-5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]carbamoyl]benzoate CAS Name: 3-carbamimidoyl-4-[[[2-(2-methoxy-2-oxoethyl)-5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carbamimidoyl-4-[[2-(2-methoxy-2-oxoethyl)-5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]carbamoyl]benzoate Traditional Name: 3-amidino-4-[[5-keto-2-(2-keto-2-methoxy-ethyl)-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]carbamoyl]benzoic acid benzyl ester Formula: C36H35N5O6 MolecularWeight: 633.693

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(C(=O)C2=C(N1)C=CC(=C2)NC(=O)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)CC1CN(C(=O)C2=C(N1)C=CC(=C2)NC(=O)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N)CCC5=CC=CC=C5

InChI

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