(2S)-3-[(8-oxidanylquinolin-5-yl)methylsulfanyl]-2-(prop-2-ynylamino)propanoic acid

Systemtic Name: (2S)-3-[(8-oxidanylquinolin-5-yl)methylsulfanyl]-2-(prop-2-ynylamino)propanoic acid Openeye Name: (2S)-3-[(8-hydroxy-5-quinolyl)methylsulfanyl]-2-(prop-2-ynylamino)propanoic acid CAS Name: (2S)-3-[(8-hydroxy-5-quinolinyl)methylthio]-2-(prop-2-ynylamino)propanoic acid IUPAC Name: (2S)-3-[(8-hydroxyquinolin-5-yl)methylsulfanyl]-2-(prop-2-ynylamino)propanoic acid Traditional Name: (2S)-3-[(8-hydroxy-5-quinolyl)methylthio]-2-(propargylamino)propionic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(CSCC1=C2C=CC=NC2=C(C=C1)O)C(=O)O

Isomeric SMILES

C#CCN[C@H](CSCC1=C2C=CC=NC2=C(C=C1)O)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c1-2-7-17-13(16(20)21)10-22-9-11-5-6-14(19)15-12(11)4-3-8-18-15/h1,3-6,8,13,17,19H,7,9-10H2,(H,20,21)/t13-/m1/s1