(E)-4-[[6-(dodecanoylamino)-1-dodecoxy-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[6-(dodecanoylamino)-1-dodecoxy-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[5-(dodecanoylamino)-1-dodecoxycarbonyl-pentyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[1-dodecoxy-1-oxo-6-(1-oxododecylamino)hexan-2-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[6-(dodecanoylamino)-1-dodecoxy-1-oxohexan-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[5-(lauroylamino)-1-lauryloxycarbonyl-pentyl]amino]but-2-enoic acid Formula: C34H62N2O6 MolecularWeight: 594.86588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CCCCNC(=O)CCCCCCCCCCC)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CCCCNC(=O)CCCCCCCCCCC)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C34H62N2O6/c1-3-5-7-9-11-13-15-17-19-23-29-42-34(41)30(36-32(38)26-27-33(39)40)24-21-22-28-35-31(37)25-20-18-16-14-12-10-8-6-4-2/h26-27,30H,3-25,28-29H2,1-2H3,(H,35,37)(H,36,38)(H,39,40)/b27-26+