tert-butyl 2-[[2-[2,3-bis(oxidanyl)propylsulfanylmethyl]-3-phenyl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-[2,3-bis(oxidanyl)propylsulfanylmethyl]-3-phenyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-benzyl-3-(2,3-dihydroxypropylsulfanyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(2,3-dihydroxypropylthio)methyl]-1-oxo-3-phenylpropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-benzyl-3-(2,3-dihydroxypropylsulfanyl)propanoyl]amino]hexanoate Traditional Name: 2-[[2-benzyl-3-(glycerylthio)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C23H37NO5S MolecularWeight: 439.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)CSCC(CO)O

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)CSCC(CO)O

InChI

InChI=1S/C23H37NO5S/c1-5-6-12-20(22(28)29-23(2,3)4)24-21(27)18(15-30-16-19(26)14-25)13-17-10-8-7-9-11-17/h7-11,18-20,25-26H,5-6,12-16H2,1-4H3,(H,24,27)