4-ethylsulfanyl-2-oxidanyl-3-(2-oxidanylethanoylamino)-N-(4-phenylbutanoyl)pentanamide

Systemtic Name: 4-ethylsulfanyl-2-oxidanyl-3-(2-oxidanylethanoylamino)-N-(4-phenylbutanoyl)pentanamide Openeye Name: 4-ethylsulfanyl-2-hydroxy-3-[(2-hydroxyacetyl)amino]-N-(4-phenylbutanoyl)pentanamide CAS Name: 4-(ethylthio)-2-hydroxy-3-[(2-hydroxy-1-oxoethyl)amino]-N-(1-oxo-4-phenylbutyl)pentanamide IUPAC Name: 4-ethylsulfanyl-2-hydroxy-3-[(2-hydroxyacetyl)amino]-N-(4-phenylbutanoyl)pentanamide Traditional Name: 4-(ethylthio)-3-(glycoloylamino)-2-hydroxy-N-(4-phenylbutanoyl)valeramide Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)C(C(C(=O)NC(=O)CCCC1=CC=CC=C1)O)NC(=O)CO

Isomeric SMILES

CCSC(C)C(C(C(=O)NC(=O)CCCC1=CC=CC=C1)O)NC(=O)CO

InChI

InChI=1S/C19H28N2O5S/c1-3-27-13(2)17(20-16(24)12-22)18(25)19(26)21-15(23)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,17-18,22,25H,3,7,10-12H2,1-2H3,(H,20,24)(H,21,23,26)