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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4S/c1-13(2)12-16(18(23)21-15(10-11-26)19(24)25)20-17(22)9-8-14-6-4-3-5-7-14/h3-7,13,15-16,26H,8-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t15?,16-/m0/s1