2-[2-(4-phenylsulfanylbutanoylamino)ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(4-phenylsulfanylbutanoylamino)ethanoylamino]ethanoic acid Openeye Name: 2-[[2-(4-phenylsulfanylbutanoylamino)acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-4-(phenylthio)butyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-(4-phenylsulfanylbutanoylamino)acetyl]amino]acetic acid Traditional Name: 2-[[2-[4-(phenylthio)butanoylamino]acetyl]amino]acetic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C14H18N2O4S/c17-12(15-9-13(18)16-10-14(19)20)7-4-8-21-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,17)(H,16,18)(H,19,20)