(1-methylcyclohexyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (1-methylcyclohexyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (1-methylcyclohexyl) (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid (1-methylcyclohexyl) ester IUPAC Name: (1-methylcyclohexyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid (1-methylcyclohexyl) ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)OC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1(CCCCC1)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO4/c1-20(2,3)26-19(24)22-17(15-16-11-7-5-8-12-16)18(23)25-21(4)13-9-6-10-14-21/h5,7-8,11-12,17H,6,9-10,13-15H2,1-4H3,(H,22,24)/t17-/m0/s1