methyl (2S,3S)-2-(azepan-1-ylcarbonylamino)-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-(azepan-1-ylcarbonylamino)-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-(azepane-1-carbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[1-azepanyl(oxo)methyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-(azepane-1-carbonylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(azepane-1-carbonylamino)-3-methyl-valeric acid methyl ester Formula: C14H26N2O3 MolecularWeight: 270.36784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26N2O3/c1-4-11(2)12(13(17)19-3)15-14(18)16-9-7-5-6-8-10-16/h11-12H,4-10H2,1-3H3,(H,15,18)/t11-,12-/m0/s1