methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-undec-10-enoylsulfanyl-propanoate

Systemtic Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-undec-10-enoylsulfanyl-propanoate Openeye Name: methyl (2R)-2-(tert-butoxycarbonylamino)-3-undec-10-enoylsulfanyl-propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-oxoundec-10-enylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-undec-10-enoylsulfanylpropanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-(undec-10-enoylthio)propionic acid methyl ester Formula: C20H35NO5S MolecularWeight: 401.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC(=O)CCCCCCCCC=C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC(=O)CCCCCCCCC=C)C(=O)OC

InChI

InChI=1S/C20H35NO5S/c1-6-7-8-9-10-11-12-13-14-17(22)27-15-16(18(23)25-5)21-19(24)26-20(2,3)4/h6,16H,1,7-15H2,2-5H3,(H,21,24)/t16-/m0/s1