2-(1-azanyl-1-oxidanylidene-hexan-2-yl)sulfanyl-2-phenyl-butanoic acid

Systemtic Name: 2-(1-azanyl-1-oxidanylidene-hexan-2-yl)sulfanyl-2-phenyl-butanoic acid Openeye Name: 2-(1-carbamoylpentylsulfanyl)-2-phenyl-butanoic acid CAS Name: 2-[(1-amino-1-oxohexan-2-yl)thio]-2-phenylbutanoic acid IUPAC Name: 2-(1-amino-1-oxohexan-2-yl)sulfanyl-2-phenylbutanoic acid Traditional Name: 2-(1-carbamoylpentylthio)-2-phenyl-butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)SC(CC)(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(C(=O)N)SC(CC)(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-3-5-11-13(14(17)18)21-16(4-2,15(19)20)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3,(H2,17,18)(H,19,20)