2-[(2-acetyloxy-3-ethanoylsulfanyl-propanoyl)amino]-6-azanyl-hexanoic acid

Systemtic Name: 2-[(2-acetyloxy-3-ethanoylsulfanyl-propanoyl)amino]-6-azanyl-hexanoic acid Openeye Name: 2-[(2-acetoxy-3-acetylsulfanyl-propanoyl)amino]-6-amino-hexanoic acid CAS Name: 2-[[2-acetyloxy-3-(acetylthio)-1-oxopropyl]amino]-6-aminohexanoic acid IUPAC Name: 2-[(2-acetyloxy-3-acetylsulfanylpropanoyl)amino]-6-aminohexanoic acid Traditional Name: 2-[[2-acetoxy-3-(acetylthio)propanoyl]amino]-6-amino-hexanoic acid Formula: C13H22N2O6S MolecularWeight: 334.38858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CSC(=O)C)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

CC(=O)OC(CSC(=O)C)C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C13H22N2O6S/c1-8(16)21-11(7-22-9(2)17)12(18)15-10(13(19)20)5-3-4-6-14/h10-11H,3-7,14H2,1-2H3,(H,15,18)(H,19,20)