(2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-(1-azepan-1-iumyl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]-4-(methylthio)butyrate Formula: C14H26N2O3S MolecularWeight: 302.43284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)[O-])[NH+]1CCCCCC1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)[O-])[NH+]1CCCCCC1

InChI

InChI=1S/C14H26N2O3S/c1-11(16-8-5-3-4-6-9-16)13(17)15-12(14(18)19)7-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)/t11-,12-/m0/s1