(2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-amidinophenyl)-diphenoxyphosphoryl-methyl]pyrrolidine-2-carboxamide Formula: C25H27N4O4P MolecularWeight: 478.480041

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(C2=CC=C(C=C2)C(=N)N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](NC1)C(=O)NC(C2=CC=C(C=C2)C(=N)N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H27N4O4P/c26-23(27)18-13-15-19(16-14-18)25(29-24(30)22-12-7-17-28-22)34(31,32-20-8-3-1-4-9-20)33-21-10-5-2-6-11-21/h1-6,8-11,13-16,22,25,28H,7,12,17H2,(H3,26,27)(H,29,30)/t22-,25?/m0/s1