4-ethylsulfanyl-2-(2-phenylethanoylamino)butanoic acid

Systemtic Name: 4-ethylsulfanyl-2-(2-phenylethanoylamino)butanoic acid Openeye Name: 4-ethylsulfanyl-2-[(2-phenylacetyl)amino]butanoic acid CAS Name: 4-(ethylthio)-2-[(1-oxo-2-phenylethyl)amino]butanoic acid IUPAC Name: 4-ethylsulfanyl-2-[(2-phenylacetyl)amino]butanoic acid Traditional Name: 4-(ethylthio)-2-[(2-phenylacetyl)amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCSCCC(C(=O)O)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-2-19-9-8-12(14(17)18)15-13(16)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)(H,17,18)