2-azanyl-3-[1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]cyclohexa-2,4-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]cyclohexa-2,4-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-[1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]cyclohexa-2,4-dien-1-yl]propanoic acid CAS Name: 2-amino-3-[1-[3-mercapto-2-(mercaptomethyl)-1-oxopropyl]-1-cyclohexa-2,4-dienyl]propanoic acid IUPAC Name: 2-amino-3-[1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]cyclohexa-2,4-dien-1-yl]propanoic acid Traditional Name: 2-amino-3-[1-[3-mercapto-2-(mercaptomethyl)propanoyl]cyclohexa-2,4-dien-1-yl]propionic acid Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(CC(C(=O)O)N)C(=O)C(CS)CS

Isomeric SMILES

C1C=CC=CC1(CC(C(=O)O)N)C(=O)C(CS)CS

InChI

InChI=1S/C13H19NO3S2/c14-10(12(16)17)6-13(4-2-1-3-5-13)11(15)9(7-18)8-19/h1-4,9-10,18-19H,5-8,14H2,(H,16,17)