tert-butyl (2S)-4-[[(4R,5R)-2,2-dimethyl-5-(oxidanylcarbamoyl)-1,3-dioxolan-4-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: tert-butyl (2S)-4-[[(4R,5R)-2,2-dimethyl-5-(oxidanylcarbamoyl)-1,3-dioxolan-4-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-4-[[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylsulfanyl]butanoate CAS Name: (2S)-4-[[(4R,5R)-5-[(hydroxyamino)-oxomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-[[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-[[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylthio]butyric acid tert-butyl ester Formula: C20H36N2O8S MolecularWeight: 464.57344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C(=O)NO)CSCCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(O[C@H]([C@@H](O1)C(=O)NO)CSCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H36N2O8S/c1-18(2,3)29-16(24)12(21-17(25)30-19(4,5)6)9-10-31-11-13-14(15(23)22-26)28-20(7,8)27-13/h12-14,26H,9-11H2,1-8H3,(H,21,25)(H,22,23)/t12-,13-,14+/m0/s1