tert-butyl (2S,3R)-3-ethylsulfanylcarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate

Systemtic Name: tert-butyl (2S,3R)-3-ethylsulfanylcarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate Openeye Name: tert-butyl (2S,3R)-2-(tert-butoxycarbonylamino)-3-ethylsulfanylcarbonyl-hex-5-enoate CAS Name: (2S,3R)-3-[(ethylthio)-oxomethyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-ethylsulfanylcarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate Traditional Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-(ethylthio)carbonyl-hex-5-enoic acid tert-butyl ester Formula: C18H31NO5S MolecularWeight: 373.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CC=C)C(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCSC(=O)[C@H](CC=C)[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H31NO5S/c1-9-11-12(15(21)25-10-2)13(14(20)23-17(3,4)5)19-16(22)24-18(6,7)8/h9,12-13H,1,10-11H2,2-8H3,(H,19,22)/t12-,13+/m1/s1