methyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxycyclohexane-1-carboxylate

Systemtic Name: methyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxycyclohexane-1-carboxylate Openeye Name: methyl 4-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxycyclohexanecarboxylate CAS Name: 4-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxycyclohexane-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxycyclohexanecarboxylic acid methyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1CCC(CC1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1CCC(CC1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO6/c1-14(2)18(22-21(25)27-13-15-7-5-4-6-8-15)20(24)28-17-11-9-16(10-12-17)19(23)26-3/h4-8,14,16-18H,9-13H2,1-3H3,(H,22,25)/t16?,17?,18-/m0/s1