2-azanyl-3-[2-(2-phenylethanoylamino)ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-phenylethanoylamino)ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-[(2-phenylacetyl)amino]ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-[(1-oxo-2-phenylethyl)amino]ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-[(2-phenylacetyl)amino]ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-[(2-phenylacetyl)amino]ethylthio]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCSCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCSCC(C(=O)O)N

InChI

InChI=1S/C13H18N2O3S/c14-11(13(17)18)9-19-7-6-15-12(16)8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)(H,17,18)