methyl (2S,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethyl)hexanoate

Systemtic Name: methyl (2S,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethyl)hexanoate Openeye Name: methyl (2S,3S)-2-benzyl-3-(tert-butoxycarbonylamino)-5-methyl-hexanoate CAS Name: (2S,3S)-5-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethyl)hexanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-benzyl-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (2S,3S)-2-benzyl-3-(tert-butoxycarbonylamino)-5-methyl-hexanoic acid methyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4/c1-14(2)12-17(21-19(23)25-20(3,4)5)16(18(22)24-6)13-15-10-8-7-9-11-15/h7-11,14,16-17H,12-13H2,1-6H3,(H,21,23)/t16-,17-/m0/s1