bis[(E)-octadec-9-enoyl] 2-methyl-3-(2-oxidanylbutan-2-ylamino)butanedioate

Systemtic Name: bis[(E)-octadec-9-enoyl] 2-methyl-3-(2-oxidanylbutan-2-ylamino)butanedioate Openeye Name: bis[(E)-octadec-9-enoyl] 2-[(1-hydroxy-1-methyl-propyl)amino]-3-methyl-butanedioate CAS Name: 2-(2-hydroxybutan-2-ylamino)-3-methylbutanedioic acid bis[(E)-1-oxooctadec-9-enyl] ester IUPAC Name: bis[(E)-octadec-9-enoyl] 2-(2-hydroxybutan-2-ylamino)-3-methylbutanedioate Traditional Name: 2-[(1-hydroxy-1-methyl-propyl)amino]-3-methyl-succinic acid bis[(E)-octadec-9-enoyl] ester Formula: C45H81NO7 MolecularWeight: 748.12714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)C(C)C(C(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC)NC(C)(CC)O

InChI

InChI=1S/C45H81NO7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(47)52-43(49)39(4)42(46-45(5,51)8-3)44(50)53-41(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h21-24,39,42,46,51H,6-20,25-38H2,1-5H3/b23-21+,24-22+