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

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-(1,2-dithiolan-3-yl)pentanoic acid Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-(dithiolan-3-yl)pentanoic acid CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 5-(3-dithiolanyl)pentanoic acid IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 5-(dithiolan-3-yl)pentanoic acid Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 5-(dithiolan-3-yl)valeric acid Formula: C13H23NO5S3 MolecularWeight: 369.52042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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