(2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-1-(3-phenoxyphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-1-(3-phenoxyphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-1-[oxo-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-amidinophenyl)-diphenoxyphosphoryl-methyl]-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide Formula: C38H35N4O6P MolecularWeight: 674.681461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC(C4=CC=C(C=C4)C(=N)N)P(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC(C4=CC=C(C=C4)C(=N)N)P(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C38H35N4O6P/c39-35(40)27-21-23-28(24-22-27)37(49(45,47-31-15-6-2-7-16-31)48-32-17-8-3-9-18-32)41-36(43)34-20-11-25-42(34)38(44)29-12-10-19-33(26-29)46-30-13-4-1-5-14-30/h1-10,12-19,21-24,26,34,37H,11,20,25H2,(H3,39,40)(H,41,43)/t34-,37?/m0/s1