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

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-[[1-ethanoyl-2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-7-yl]carbamoyl]benzoate Openeye Name: benzyl 4-[[1-acetyl-2-(2-methoxy-2-oxo-ethyl)-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-7-yl]carbamoyl]-3-carbamimidoyl-benzoate CAS Name: 4-[[[1-acetyl-2-(2-methoxy-2-oxoethyl)-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-7-yl]amino]-oxomethyl]-3-carbamimidoylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[1-acetyl-2-(2-methoxy-2-oxoethyl)-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-7-yl]carbamoyl]-3-carbamimidoylbenzoate Traditional Name: 4-[[1-acetyl-5-keto-2-(2-keto-2-methoxy-ethyl)-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-7-yl]carbamoyl]-3-amidino-benzoic acid benzyl ester Formula: C38H37N5O7 MolecularWeight: 675.72968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(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)OC

Isomeric SMILES

CC(=O)N1C(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)OC

InChI

InChI=1S/C38H37N5O7/c1-24(44)43-29(21-34(45)49-2)22-42(18-17-25-9-5-3-6-10-25)37(47)32-20-28(14-16-33(32)43)41-36(46)30-15-13-27(19-31(30)35(39)40)38(48)50-23-26-11-7-4-8-12-26/h3-16,19-20,29H,17-18,21-23H2,1-2H3,(H3,39,40)(H,41,46)