(phenylmethyl) 2-[[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]carbamoyl]pyrrolidine-1-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 2-[[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]carbamoyl]pyrrolidine-1-carboxylate hydrochloride Openeye Name: benzyl 2-[[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]carbamoyl]pyrrolidine-1-carboxylate hydrochloride CAS Name: 2-[[[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 2-[[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]carbamoyl]pyrrolidine-1-carboxylate hydrochloride Traditional Name: 2-[[(4-amidinophenyl)-diphenoxyphosphoryl-methyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester hydrochloride Formula: C33H34ClN4O6P MolecularWeight: 649.073021

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C3=CC=C(C=C3)C(=N)N)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C3=CC=C(C=C3)C(=N)N)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5.Cl

InChI

InChI=1S/C33H33N4O6P.ClH/c34-30(35)25-18-20-26(21-19-25)32(44(40,42-27-13-6-2-7-14-27)43-28-15-8-3-9-16-28)36-31(38)29-17-10-22-37(29)33(39)41-23-24-11-4-1-5-12-24;/h1-9,11-16,18-21,29,32H,10,17,22-23H2,(H3,34,35)(H,36,38);1H