2-azanyl-3-(2,3-diacetyloxypropylsulfanyl)-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid

Systemtic Name: 2-azanyl-3-(2,3-diacetyloxypropylsulfanyl)-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid Openeye Name: 2-amino-3-(2,3-diacetoxypropylsulfanyl)-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid CAS Name: 2-amino-3-(2,3-diacetyloxypropylthio)-2-(2-methyl-1-oxo-3-phenylpropyl)hexanoic acid IUPAC Name: 2-amino-3-(2,3-diacetyloxypropylsulfanyl)-2-(2-methyl-3-phenylpropanoyl)hexanoic acid Traditional Name: 2-amino-3-(2,3-diacetoxypropylthio)-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid Formula: C23H33NO7S MolecularWeight: 467.57562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)C(C)CC1=CC=CC=C1)(C(=O)O)N)SCC(COC(=O)C)OC(=O)C

Isomeric SMILES

CCCC(C(C(=O)C(C)CC1=CC=CC=C1)(C(=O)O)N)SCC(COC(=O)C)OC(=O)C

InChI

InChI=1S/C23H33NO7S/c1-5-9-20(32-14-19(31-17(4)26)13-30-16(3)25)23(24,22(28)29)21(27)15(2)12-18-10-7-6-8-11-18/h6-8,10-11,15,19-20H,5,9,12-14,24H2,1-4H3,(H,28,29)