(2R)-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-3-mercapto-2-[(1-methyl-2-azepanylidene)amino]propanoic acid IUPAC Name: (2R)-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-3-mercapto-2-[(1-methylazepan-2-ylidene)amino]propionic acid Formula: C10H18N2O2S MolecularWeight: 230.32712

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1=NC(CS)C(=O)O

Isomeric SMILES

CN1CCCCCC1=N[C@@H](CS)C(=O)O

InChI

InChI=1S/C10H18N2O2S/c1-12-6-4-2-3-5-9(12)11-8(7-15)10(13)14/h8,15H,2-7H2,1H3,(H,13,14)/t8-/m0/s1