(2S)-2-azaniumyl-3-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(3S)-2-oxoazepan-3-yl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[(3S)-2-oxo-3-azepanyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(3S)-2-oxoazepan-3-yl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[(3S)-2-ketoazepan-3-yl]thio]propionate Formula: C9H16N2O3S MolecularWeight: 232.29994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H16N2O3S/c10-6(9(13)14)5-15-7-3-1-2-4-11-8(7)12/h6-7H,1-5,10H2,(H,11,12)(H,13,14)/t6-,7+/m1/s1