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

Systemtic Name: ethyl 2-[(3-azanyl-4-ethylsulfanyl-2-oxidanyl-pentanoyl)amino]propanoate hydrochloride Openeye Name: ethyl 2-[(3-amino-4-ethylsulfanyl-2-hydroxy-pentanoyl)amino]propanoate hydrochloride CAS Name: 2-[[3-amino-4-(ethylthio)-2-hydroxy-1-oxopentyl]amino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(3-amino-4-ethylsulfanyl-2-hydroxypentanoyl)amino]propanoate hydrochloride Traditional Name: 2-[[3-amino-4-(ethylthio)-2-hydroxy-pentanoyl]amino]propionic acid ethyl ester hydrochloride Formula: C12H25ClN2O4S MolecularWeight: 328.8559

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C(C(C(C)SCC)N)O.Cl

Isomeric SMILES

CCOC(=O)C(C)NC(=O)C(C(C(C)SCC)N)O.Cl

InChI

InChI=1S/C12H24N2O4S.ClH/c1-5-18-12(17)7(3)14-11(16)10(15)9(13)8(4)19-6-2;/h7-10,15H,5-6,13H2,1-4H3,(H,14,16);1H