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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(azepan-1-yl)-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-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-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-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H36N2O4/c1-17(2)21(23(29)30-16-20(27)26-14-8-6-7-9-15-26)25-22(28)18-10-12-19(13-11-18)24(3,4)5/h10-13,17,21H,6-9,14-16H2,1-5H3,(H,25,28)/t21-/m0/s1