2,3-bis[[(E)-octadec-9-enoyl]amino]-2-propyl-butanedioic acid

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]amino]-2-propyl-butanedioic acid Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]amino]-2-propyl-butanedioic acid CAS Name: 2,3-bis[[(E)-1-oxooctadec-9-enyl]amino]-2-propylbutanedioic acid IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]amino]-2-propylbutanedioic acid Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]amino]-2-propyl-succinic acid Formula: C43H78N2O6 MolecularWeight: 719.08922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C(=O)O)C(CCC)(C(=O)O)NC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C(=O)O)C(CCC)(C(=O)O)NC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H78N2O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(46)44-40(41(48)49)43(37-6-3,42(50)51)45-39(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,40H,4-18,23-37H2,1-3H3,(H,44,46)(H,45,47)(H,48,49)(H,50,51)/b21-19+,22-20+