1-(2-acetamido-3-sulfanyl-propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-acetamido-3-sulfanyl-propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-(2-acetamido-3-sulfanyl-propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-(2-acetamido-3-mercapto-1-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-(2-acetamido-3-sulfanylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-(2-acetamido-3-mercapto-propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)C1C2=CC=CC=C2CC(N1)C(=O)O

Isomeric SMILES

CC(=O)NC(CS)C(=O)C1C2=CC=CC=C2CC(N1)C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-8(18)16-12(7-22)14(19)13-10-5-3-2-4-9(10)6-11(17-13)15(20)21/h2-5,11-13,17,22H,6-7H2,1H3,(H,16,18)(H,20,21)