3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-3-phenyl-propionic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCSCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C14H18N2O4S/c15-12(17)9-21-7-6-13(18)16-11(8-14(19)20)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,17)(H,16,18)(H,19,20)