2-[phenyl-[2-(phenylmethyl)-3-sulfanyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[phenyl-[2-(phenylmethyl)-3-sulfanyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-(N-(2-benzyl-3-sulfanyl-pentanoyl)anilino)acetic acid CAS Name: 2-(N-[3-mercapto-1-oxo-2-(phenylmethyl)pentyl]anilino)acetic acid IUPAC Name: 2-(N-(2-benzyl-3-sulfanylpentanoyl)anilino)acetic acid Traditional Name: 2-(N-(2-benzyl-3-mercapto-pentanoyl)anilino)acetic acid Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=CC=C2)S

Isomeric SMILES

CCC(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=CC=C2)S

InChI

InChI=1S/C20H23NO3S/c1-2-18(25)17(13-15-9-5-3-6-10-15)20(24)21(14-19(22)23)16-11-7-4-8-12-16/h3-12,17-18,25H,2,13-14H2,1H3,(H,22,23)