(2S)-3-(4-phenylphenyl)-2-[[(2S)-2-sulfanylhexanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(4-phenylphenyl)-2-[[(2S)-2-sulfanylhexanoyl]amino]propanoic acid Openeye Name: (2S)-3-(4-phenylphenyl)-2-[[(2S)-2-sulfanylhexanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-mercapto-1-oxohexyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-3-(4-phenylphenyl)-2-[[(2S)-2-sulfanylhexanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-mercaptohexanoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C21H25NO3S/c1-2-3-9-19(26)20(23)22-18(21(24)25)14-15-10-12-17(13-11-15)16-7-5-4-6-8-16/h4-8,10-13,18-19,26H,2-3,9,14H2,1H3,(H,22,23)(H,24,25)/t18-,19-/m0/s1