2-azanyl-3-[2,3-bis(oxidanyl)propylsulfanyl]-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid

Systemtic Name: 2-azanyl-3-[2,3-bis(oxidanyl)propylsulfanyl]-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid Openeye Name: 2-amino-3-(2,3-dihydroxypropylsulfanyl)-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid CAS Name: 2-amino-3-(2,3-dihydroxypropylthio)-2-(2-methyl-1-oxo-3-phenylpropyl)hexanoic acid IUPAC Name: 2-amino-3-(2,3-dihydroxypropylsulfanyl)-2-(2-methyl-3-phenylpropanoyl)hexanoic acid Traditional Name: 2-amino-3-(glycerylthio)-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid Formula: C19H29NO5S MolecularWeight: 383.50226

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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(CO)O

Isomeric SMILES

CCCC(C(C(=O)C(C)CC1=CC=CC=C1)(C(=O)O)N)SCC(CO)O

InChI

InChI=1S/C19H29NO5S/c1-3-7-16(26-12-15(22)11-21)19(20,18(24)25)17(23)13(2)10-14-8-5-4-6-9-14/h4-6,8-9,13,15-16,21-22H,3,7,10-12,20H2,1-2H3,(H,24,25)