2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanethioic S-acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanethioic S-acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]pentanethioic S-acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]pentanethioic S-acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]pentanethioic S-acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]thiovaleric acid Formula: C15H21NO2S2 MolecularWeight: 311.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)S)NC(=O)C(CC1=CC=CC=C1)CS

Isomeric SMILES

CCCC(C(=O)S)NC(=O)C(CC1=CC=CC=C1)CS

InChI

InChI=1S/C15H21NO2S2/c1-2-6-13(15(18)20)16-14(17)12(10-19)9-11-7-4-3-5-8-11/h3-5,7-8,12-13,19H,2,6,9-10H2,1H3,(H,16,17)(H,18,20)