methyl (2S)-2-[(3S,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-piperidin-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3S,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-piperidin-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-methyl-2-oxo-1-piperidyl]-3-phenyl-propanoate CAS Name: (2S)-2-[(3S,4R)-4-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-piperidinyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3S,4R)-3-(tert-butoxycarbonylamino)-2-keto-4-methyl-piperidino]-3-phenyl-propionic acid methyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(=O)C1NC(=O)OC(C)(C)C)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@@H]1CCN(C(=O)[C@H]1NC(=O)OC(C)(C)C)[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H30N2O5/c1-14-11-12-23(18(24)17(14)22-20(26)28-21(2,3)4)16(19(25)27-5)13-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,26)/t14-,16+,17+/m1/s1