methyl (2S,3R,4R)-4-cyclohexyl-4-diphenylphosphoryl-3-oxidanyl-2-[(phenylmethyl)amino]butanoate

Systemtic Name: methyl (2S,3R,4R)-4-cyclohexyl-4-diphenylphosphoryl-3-oxidanyl-2-[(phenylmethyl)amino]butanoate Openeye Name: methyl (2S,3R,4R)-2-(benzylamino)-4-cyclohexyl-4-diphenylphosphoryl-3-hydroxy-butanoate CAS Name: (2S,3R,4R)-4-cyclohexyl-4-diphenylphosphoryl-3-hydroxy-2-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S,3R,4R)-2-(benzylamino)-4-cyclohexyl-4-diphenylphosphoryl-3-hydroxybutanoate Traditional Name: (2S,3R,4R)-2-(benzylamino)-4-cyclohexyl-4-diphenylphosphoryl-3-hydroxy-butyric acid methyl ester Formula: C30H36NO4P MolecularWeight: 505.584901

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C(C1CCCCC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O)NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]([C@H]([C@@H](C1CCCCC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O)NCC4=CC=CC=C4

InChI

InChI=1S/C30H36NO4P/c1-35-30(33)27(31-22-23-14-6-2-7-15-23)28(32)29(24-16-8-3-9-17-24)36(34,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2,4-7,10-15,18-21,24,27-29,31-32H,3,8-9,16-17,22H2,1H3/t27-,28+,29+/m0/s1