2-(furan-2-yl)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-(furan-2-yl)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-(2-furyl)acetic acid CAS Name: 2-(2-furanyl)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-(furan-2-yl)acetic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-2-(2-furyl)acetic acid Formula: C16H17NO4S MolecularWeight: 319.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(C2=CC=CO2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(C2=CC=CO2)C(=O)O

InChI

InChI=1S/C16H17NO4S/c18-15(12(10-22)9-11-5-2-1-3-6-11)17-14(16(19)20)13-7-4-8-21-13/h1-8,12,14,22H,9-10H2,(H,17,18)(H,19,20)