methyl (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-cyclohexyl-propanoate CAS Name: (2S)-3-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-cyclohexylpropanoate Traditional Name: (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-cyclohexyl-propionic acid methyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C(CC2CCCCC2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)[C@@H](CC2CCCCC2)C(=O)OC

InChI

InChI=1S/C22H33NO4/c1-22(2,3)27-21(25)23(16-18-13-9-6-10-14-18)19(20(24)26-4)15-17-11-7-5-8-12-17/h6,9-10,13-14,17,19H,5,7-8,11-12,15-16H2,1-4H3/t19-/m0/s1