(2R)-2-acetamido-3-sulfanyl-propanoic acid; 4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; hydrochloride

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; hydrochloride Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol; hydrochloride CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; hydrochloride IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; hydrochloride Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol; hydrochloride Formula: C16H27ClN2O6S MolecularWeight: 410.91338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(=O)NC(CS)C(=O)O.Cl

Isomeric SMILES

CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(=O)N[C@@H](CS)C(=O)O.Cl

InChI

InChI=1S/C11H17NO3.C5H9NO3S.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-3(7)6-4(2-10)5(8)9;/h3-5,7,11-15H,6H2,1-2H3;4,10H,2H2,1H3,(H,6,7)(H,8,9);1H/t;4-;/m.0./s1