ethyl 4-[(3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanoyl)amino]butanoate hydrochloride

Systemtic Name: ethyl 4-[(3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanoyl)amino]butanoate hydrochloride Openeye Name: ethyl 4-[(3-amino-5-ethylsulfanyl-2-hydroxy-pentanoyl)amino]butanoate hydrochloride CAS Name: 4-[[3-amino-5-(ethylthio)-2-hydroxy-1-oxopentyl]amino]butanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[(3-amino-5-ethylsulfanyl-2-hydroxypentanoyl)amino]butanoate hydrochloride Traditional Name: 4-[[3-amino-5-(ethylthio)-2-hydroxy-pentanoyl]amino]butyric acid ethyl ester hydrochloride Formula: C13H27ClN2O4S MolecularWeight: 342.88248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)C(C(CCSCC)N)O.Cl

Isomeric SMILES

CCOC(=O)CCCNC(=O)C(C(CCSCC)N)O.Cl

InChI

InChI=1S/C13H26N2O4S.ClH/c1-3-19-11(16)6-5-8-15-13(18)12(17)10(14)7-9-20-4-2;/h10,12,17H,3-9,14H2,1-2H3,(H,15,18);1H