2-(2-azanyl-3-sulfanyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CS)N)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C(CS)N)C(=O)O

InChI

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