ethyl (2R)-3-(2-methyl-5-oxidanylidene-icos-1-en-4-yl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: ethyl (2R)-3-(2-methyl-5-oxidanylidene-icos-1-en-4-yl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: ethyl (2R)-2-(tert-butoxycarbonylamino)-3-[1-(2-methylallyl)-2-oxo-heptadecyl]sulfanyl-propanoate CAS Name: (2R)-3-[(2-methyl-5-oxoeicos-1-en-4-yl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-(2-methyl-5-oxoicos-1-en-4-yl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[(1-hexadecanoyl-3-methyl-but-3-enyl)thio]propionic acid ethyl ester Formula: C31H57NO5S MolecularWeight: 555.85298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CC(=C)C)SCC(C(=O)OCC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CC(=C)C)SC[C@@H](C(=O)OCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H57NO5S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-27(33)28(23-25(3)4)38-24-26(29(34)36-9-2)32-30(35)37-31(5,6)7/h26,28H,3,8-24H2,1-2,4-7H3,(H,32,35)/t26-,28?/m0/s1