tert-butyl 2-[[2-(2,3-diacetyloxypropylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(2,3-diacetyloxypropylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-benzyl-3-(2,3-diacetoxypropylsulfanyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(2,3-diacetyloxypropylthio)methyl]-1-oxo-3-phenylpropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-benzyl-3-(2,3-diacetyloxypropylsulfanyl)propanoyl]amino]hexanoate Traditional Name: 2-[[2-benzyl-3-(2,3-diacetoxypropylthio)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C27H41NO7S MolecularWeight: 523.68194

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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(COC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO7S/c1-7-8-14-24(26(32)35-27(4,5)6)28-25(31)22(15-21-12-10-9-11-13-21)17-36-18-23(34-20(3)30)16-33-19(2)29/h9-13,22-24H,7-8,14-18H2,1-6H3,(H,28,31)