2-[[(2S)-2-(3-phenylpropanoylamino)hexanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[[(2S)-2-(3-phenylpropanoylamino)hexanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[(2S)-2-(3-phenylpropanoylamino)hexanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[[(2S)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]hexyl]amino]butanoic acid IUPAC Name: 2-[[(2S)-2-(3-phenylpropanoylamino)hexanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: 2-[[(2S)-2-(hydrocinnamoylamino)hexanoyl]amino]-4-mercapto-butyric acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCS)C(=O)O)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H](C(=O)NC(CCS)C(=O)O)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O4S/c1-2-3-9-15(18(23)21-16(12-13-26)19(24)25)20-17(22)11-10-14-7-5-4-6-8-14/h4-8,15-16,26H,2-3,9-13H2,1H3,(H,20,22)(H,21,23)(H,24,25)/t15-,16?/m0/s1