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

Systemtic Name: 1-(2-azanyl-3-sulfanyl-propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-(2-amino-3-sulfanyl-propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-(2-amino-3-mercapto-1-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-(2-amino-3-sulfanylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-(2-amino-3-mercapto-propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=CC=CC=C21)C(=O)C(CS)N)C(=O)O

Isomeric SMILES

C1C(NC(C2=CC=CC=C21)C(=O)C(CS)N)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c14-9(6-19)12(16)11-8-4-2-1-3-7(8)5-10(15-11)13(17)18/h1-4,9-11,15,19H,5-6,14H2,(H,17,18)