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

Systemtic Name: 2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]butanoic acid IUPAC Name: 2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: 2-[[(2S)-2-(hydrocinnamoylamino)-3-methyl-butanoyl]amino]-4-mercapto-butyric acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-12(2)16(17(22)19-14(10-11-25)18(23)24)20-15(21)9-8-13-6-4-3-5-7-13/h3-7,12,14,16,25H,8-11H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t14?,16-/m0/s1