(2S)-2-(azepan-1-ylcarbonylamino)-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-(azepan-1-ylcarbonylamino)-3-methyl-pentanoic acid Openeye Name: (2S)-2-(azepane-1-carbonylamino)-3-methyl-pentanoic acid CAS Name: (2S)-2-[[1-azepanyl(oxo)methyl]amino]-3-methylpentanoic acid IUPAC Name: (2S)-2-(azepane-1-carbonylamino)-3-methylpentanoic acid Traditional Name: (2S)-2-(azepane-1-carbonylamino)-3-methyl-valeric acid Formula: C13H24N2O3 MolecularWeight: 256.34126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)N1CCCCCC1

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC(=O)N1CCCCCC1

InChI

InChI=1S/C13H24N2O3/c1-3-10(2)11(12(16)17)14-13(18)15-8-6-4-5-7-9-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t10?,11-/m0/s1