(2S)-2-[[2-(azepan-1-yl)-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[2-(azepan-1-yl)-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(azepan-1-yl)-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(1-azepanyl)-2-methyl-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(azepan-1-yl)-2-methylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(azepan-1-yl)-2-methyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C15H28N2O3S MolecularWeight: 316.45942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CCSC)C(=O)O)N1CCCCCC1

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CCSC)C(=O)O)N1CCCCCC1

InChI

InChI=1S/C15H28N2O3S/c1-15(2,17-9-6-4-5-7-10-17)14(20)16-12(13(18)19)8-11-21-3/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)/t12-/m0/s1