(2S,3S)-2-azanyl-N-[(4-cyanophenyl)-diphenoxyphosphoryl-methyl]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-azanyl-N-[(4-cyanophenyl)-diphenoxyphosphoryl-methyl]-3-methyl-pentanamide Openeye Name: (2S,3S)-2-amino-N-[(4-cyanophenyl)-diphenoxyphosphoryl-methyl]-3-methyl-pentanamide CAS Name: (2S,3S)-2-amino-N-[(4-cyanophenyl)-diphenoxyphosphorylmethyl]-3-methylpentanamide IUPAC Name: (2S,3S)-2-amino-N-[(4-cyanophenyl)-diphenoxyphosphorylmethyl]-3-methylpentanamide Traditional Name: (2S,3S)-2-amino-N-[(4-cyanophenyl)-diphenoxyphosphoryl-methyl]-3-methyl-valeramide Formula: C26H28N3O4P MolecularWeight: 477.491981

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C1=CC=C(C=C1)C#N)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(C1=CC=C(C=C1)C#N)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)N

InChI

InChI=1S/C26H28N3O4P/c1-3-19(2)24(28)25(30)29-26(21-16-14-20(18-27)15-17-21)34(31,32-22-10-6-4-7-11-22)33-23-12-8-5-9-13-23/h4-17,19,24,26H,3,28H2,1-2H3,(H,29,30)/t19-,24-,26?/m0/s1