4-methylsulfanyl-2-[[2-(3-oxidanylidenepentanoylamino)-3-phenyl-propanoyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-(3-oxidanylidenepentanoylamino)-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(3-oxopentanoylamino)-3-phenyl-propanoyl]amino]butanoic acid CAS Name: 2-[[2-(1,3-dioxopentylamino)-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(3-oxopentanoylamino)-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 2-[[2-(3-ketopentanoylamino)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCC(=O)CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C19H26N2O5S/c1-3-14(22)12-17(23)20-16(11-13-7-5-4-6-8-13)18(24)21-15(19(25)26)9-10-27-2/h4-8,15-16H,3,9-12H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)