methyl N-[4-ethylsulfanyl-2-oxidanyl-1-oxidanylidene-1-(4-phenylbutanoylamino)pentan-3-yl]carbamate hydrochloride

Systemtic Name: methyl N-[4-ethylsulfanyl-2-oxidanyl-1-oxidanylidene-1-(4-phenylbutanoylamino)pentan-3-yl]carbamate hydrochloride Openeye Name: methyl N-[1-(1-ethylsulfanylethyl)-2-hydroxy-3-oxo-3-(4-phenylbutanoylamino)propyl]carbamate hydrochloride CAS Name: N-[4-(ethylthio)-2-hydroxy-1-oxo-1-[(1-oxo-4-phenylbutyl)amino]pentan-3-yl]carbamic acid methyl ester hydrochloride IUPAC Name: methyl N-[4-ethylsulfanyl-2-hydroxy-1-oxo-1-(4-phenylbutanoylamino)pentan-3-yl]carbamate hydrochloride Traditional Name: N-[1-[1-(ethylthio)ethyl]-2-hydroxy-3-keto-3-(4-phenylbutanoylamino)propyl]carbamic acid methyl ester hydrochloride Formula: C19H29ClN2O5S MolecularWeight: 432.96196

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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)OC.Cl

Isomeric SMILES

CCSC(C)C(C(C(=O)NC(=O)CCCC1=CC=CC=C1)O)NC(=O)OC.Cl

InChI

InChI=1S/C19H28N2O5S.ClH/c1-4-27-13(2)16(21-19(25)26-3)17(23)18(24)20-15(22)12-8-11-14-9-6-5-7-10-14;/h5-7,9-10,13,16-17,23H,4,8,11-12H2,1-3H3,(H,21,25)(H,20,22,24);1H