5-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]pentanoic acid

Systemtic Name: 5-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]pentanoic acid Openeye Name: 5-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]pentanoic acid CAS Name: 5-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]pentanoic acid IUPAC Name: 5-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]pentanoic acid Traditional Name: 5-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]valeric acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCCCCC(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCCCCC(=O)O

InChI

InChI=1S/C17H23NO4S/c1-13(19)23-12-15(11-14-7-3-2-4-8-14)17(22)18-10-6-5-9-16(20)21/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,18,22)(H,20,21)