2-[(4,8,13,17-tetramethyl-20-oxidanyl-20-oxidanylidene-icosanoyl)amino]ethylcarbamoylboron

Systemtic Name: 2-[(4,8,13,17-tetramethyl-20-oxidanyl-20-oxidanylidene-icosanoyl)amino]ethylcarbamoylboron Openeye Name: 2-[(20-hydroxy-4,8,13,17-tetramethyl-20-oxo-icosanoyl)amino]ethylcarbamoylboron CAS Name: [[2-[(20-hydroxy-4,8,13,17-tetramethyl-1,20-dioxoeicosyl)amino]ethylamino]-oxomethyl]boron IUPAC Name: 2-[(20-hydroxy-4,8,13,17-tetramethyl-20-oxoicosanoyl)amino]ethylcarbamoylboron Traditional Name: 2-[(20-hydroxy-20-keto-4,8,13,17-tetramethyl-eicosanoyl)amino]ethylcarbamoylboron Formula: C27H51BN2O4 MolecularWeight: 478.51584

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCNC(=O)CCC(C)CCCC(C)CCCCC(C)CCCC(C)CCC(=O)O

Isomeric SMILES

[B]C(=O)NCCNC(=O)CCC(C)CCCC(C)CCCCC(C)CCCC(C)CCC(=O)O

InChI

InChI=1S/C27H51BN2O4/c1-21(9-5-6-10-22(2)12-8-14-24(4)16-18-26(32)33)11-7-13-23(3)15-17-25(31)29-19-20-30-27(28)34/h21-24H,5-20H2,1-4H3,(H,29,31)(H,30,34)(H,32,33)