methyl (2S,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-oxidanyl-hexanoate

Systemtic Name: methyl (2S,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-oxidanyl-hexanoate Openeye Name: methyl (2S,3S)-3-[benzyl(tert-butoxycarbonyl)amino]-2-hydroxy-5-methyl-hexanoate CAS Name: (2S,3S)-2-hydroxy-5-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]hexanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxy-5-methylhexanoate Traditional Name: (2S,3S)-3-[benzyl(tert-butoxycarbonyl)amino]-2-hydroxy-5-methyl-hexanoic acid methyl ester Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OC)O)N(CC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]([C@@H](C(=O)OC)O)N(CC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31NO5/c1-14(2)12-16(17(22)18(23)25-6)21(19(24)26-20(3,4)5)13-15-10-8-7-9-11-15/h7-11,14,16-17,22H,12-13H2,1-6H3/t16-,17-/m0/s1