(2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-(1,2-dithiolan-3-yl)pentanoic acid; 1-isothiocyanato-4-methylsulfinyl-butane

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-(1,2-dithiolan-3-yl)pentanoic acid; 1-isothiocyanato-4-methylsulfinyl-butane Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-(dithiolan-3-yl)pentanoic acid; 1-isothiocyanato-4-methylsulfinyl-butane CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 5-(3-dithiolanyl)pentanoic acid; 1-isothiocyanato-4-methylsulfinylbutane IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 5-(dithiolan-3-yl)pentanoic acid; 1-isothiocyanato-4-methylsulfinylbutane Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 5-(dithiolan-3-yl)valeric acid; 1-isothiocyanato-4-methylsulfinyl-butane Formula: C19H34N2O6S5 MolecularWeight: 546.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)O.CS(=O)CCCCN=C=S.C1CSSC1CCCCC(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.CS(=O)CCCCN=C=S.C1CSSC1CCCCC(=O)O

InChI

InChI=1S/C8H14O2S2.C6H11NOS2.C5H9NO3S/c9-8(10)4-2-1-3-7-5-6-11-12-7;1-10(8)5-3-2-4-7-6-9;1-3(7)6-4(2-10)5(8)9/h7H,1-6H2,(H,9,10);2-5H2,1H3;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;;4-/m..0/s1