prop-2-enyl (2R)-3-hexadecanoylsulfanyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]ethanoylamino]propanoate

Systemtic Name: prop-2-enyl (2R)-3-hexadecanoylsulfanyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]ethanoylamino]propanoate Openeye Name: allyl (2R)-2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]acetyl]amino]-3-hexadecanoylsulfanyl-propanoate CAS Name: (2R)-2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(1-oxohexadecylthio)propanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R)-3-hexadecanoylsulfanyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoate Traditional Name: (2R)-2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]acetyl]amino]-3-(hexadecanoylthio)propionic acid allyl ester Formula: C31H55N3O7S MolecularWeight: 613.8493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55N3O7S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-28(37)42-24-25(29(38)40-21-7-2)34-27(36)23-32-26(35)22-33-30(39)41-31(3,4)5/h7,25H,2,6,8-24H2,1,3-5H3,(H,32,35)(H,33,39)(H,34,36)/t25-/m0/s1