(2S,3S)-2-azanyl-1-(1-diphenoxyphosphoryl-1,3-dihydroisoindol-2-yl)-3-methyl-pentan-1-one

Systemtic Name: (2S,3S)-2-azanyl-1-(1-diphenoxyphosphoryl-1,3-dihydroisoindol-2-yl)-3-methyl-pentan-1-one Openeye Name: (2S,3S)-2-amino-1-(1-diphenoxyphosphorylisoindolin-2-yl)-3-methyl-pentan-1-one CAS Name: (2S,3S)-2-amino-1-(1-diphenoxyphosphoryl-1,3-dihydroisoindol-2-yl)-3-methyl-1-pentanone IUPAC Name: (2S,3S)-2-amino-1-(1-diphenoxyphosphoryl-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one Traditional Name: (2S,3S)-2-amino-1-(1-diphenoxyphosphorylisoindolin-2-yl)-3-methyl-pentan-1-one Formula: C26H29N2O4P MolecularWeight: 464.493221

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CC2=CC=CC=C2C1P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CC2=CC=CC=C2C1P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C26H29N2O4P/c1-3-19(2)24(27)25(29)28-18-20-12-10-11-17-23(20)26(28)33(30,31-21-13-6-4-7-14-21)32-22-15-8-5-9-16-22/h4-17,19,24,26H,3,18,27H2,1-2H3/t19-,24-,26?/m0/s1