(2S)-2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoate

Systemtic Name: (2S)-2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoate Openeye Name: (2S)-2-(azepane-1-carbonylamino)-4-methyl-pentanoate CAS Name: (2S)-2-[[1-azepanyl(oxo)methyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoate Traditional Name: (2S)-2-(azepane-1-carbonylamino)-4-methyl-valerate Formula: C13H23N2O3- MolecularWeight: 255.33332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O3/c1-10(2)9-11(12(16)17)14-13(18)15-7-5-3-4-6-8-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/p-1/t11-/m0/s1