[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H36N2O4/c1-16(2)21(23(29)30-15-20(27)26-13-7-8-17(3)14-26)25-22(28)18-9-11-19(12-10-18)24(4,5)6/h9-12,16-17,21H,7-8,13-15H2,1-6H3,(H,25,28)/t17-,21-/m0/s1