2-azanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]propionic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C14H18N2O3S/c15-12(14(18)19)8-20-9-13(17)16-6-5-10-3-1-2-4-11(10)7-16/h1-4,12H,5-9,15H2,(H,18,19)