4-methylsulfanyl-2-[[2-(4-oxidanylidenepentanoylamino)-3-phenyl-propanoyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-(4-oxidanylidenepentanoylamino)-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(4-oxopentanoylamino)-3-phenyl-propanoyl]amino]butanoic acid CAS Name: 2-[[2-(1,4-dioxopentylamino)-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(4-oxopentanoylamino)-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 2-[[2-(4-ketopentanoylamino)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C19H26N2O5S MolecularWeight: 394.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C19H26N2O5S/c1-13(22)8-9-17(23)20-16(12-14-6-4-3-5-7-14)18(24)21-15(19(25)26)10-11-27-2/h3-7,15-16H,8-12H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)