methyl (2S)-3-[2-cyanoethoxy(oxidanyl)phosphinothioyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate

Systemtic Name: methyl (2S)-3-[2-cyanoethoxy(oxidanyl)phosphinothioyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[2-cyanoethoxy(hydroxy)phosphinothioyl]oxy-4-phenyl-butanoate CAS Name: (2S)-3-[2-cyanoethoxy(hydroxy)phosphinothioyl]oxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2S)-3-[2-cyanoethoxy(hydroxy)phosphinothioyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[2-cyanoethoxy(hydroxy)thiophosphoryl]oxy-4-phenyl-butyric acid methyl ester Formula: C19H27N2O7PS MolecularWeight: 458.465641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(CC1=CC=CC=C1)OP(=S)(O)OCCC#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C(CC1=CC=CC=C1)OP(=S)(O)OCCC#N)C(=O)OC

InChI

InChI=1S/C19H27N2O7PS/c1-19(2,3)27-18(23)21-16(17(22)25-4)15(13-14-9-6-5-7-10-14)28-29(24,30)26-12-8-11-20/h5-7,9-10,15-16H,8,12-13H2,1-4H3,(H,21,23)(H,24,30)/t15?,16-,29?/m0/s1