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

Systemtic Name: 2-[[(2S)-4-methylsulfanyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[(2S)-4-methylsulfanyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[[(2S)-4-(methylthio)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]butanoic acid IUPAC Name: 2-[[(2S)-4-methylsulfanyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: 2-[[(2S)-2-(hydrocinnamoylamino)-4-(methylthio)butanoyl]amino]-4-mercapto-butyric acid Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S2/c1-26-12-10-14(17(22)20-15(9-11-25)18(23)24)19-16(21)8-7-13-5-3-2-4-6-13/h2-6,14-15,25H,7-12H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t14-,15?/m0/s1