(2S)-2-(azepan-1-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (2S)-2-(azepan-1-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (2S)-2-(azepane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-azepanyl(oxo)methyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-(azepane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(azepane-1-carbonylamino)-3-methyl-butyrate Formula: C12H21N2O3- MolecularWeight: 241.30674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)N1CCCCCC1

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O3/c1-9(2)10(11(15)16)13-12(17)14-7-5-3-4-6-8-14/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)/p-1/t10-/m0/s1