2-azanyl-2-(butanoylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-azanyl-2-(butanoylamino)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-amino-3-benzylsulfanyl-2-(butanoylamino)propanoic acid CAS Name: 2-amino-2-(1-oxobutylamino)-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-amino-3-benzylsulfanyl-2-(butanoylamino)propanoic acid Traditional Name: 2-amino-3-(benzylthio)-2-butyramido-propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CSCC1=CC=CC=C1)(C(=O)O)N

Isomeric SMILES

CCCC(=O)NC(CSCC1=CC=CC=C1)(C(=O)O)N

InChI

InChI=1S/C14H20N2O3S/c1-2-6-12(17)16-14(15,13(18)19)10-20-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,15H2,1H3,(H,16,17)(H,18,19)