O5-tert-butyl O1-methyl (2R)-2-[[(2S)-2-(octadecanoylamino)propanoyl]amino]pentanedioate

Systemtic Name: O5-tert-butyl O1-methyl (2R)-2-[[(2S)-2-(octadecanoylamino)propanoyl]amino]pentanedioate Openeye Name: O5-tert-butyl O1-methyl (2R)-2-[[(2S)-2-(octadecanoylamino)propanoyl]amino]pentanedioate CAS Name: (2R)-2-[[(2S)-1-oxo-2-(1-oxooctadecylamino)propyl]amino]pentanedioic acid O5-tert-butyl ester O1-methyl ester IUPAC Name: 5-O-tert-butyl 1-O-methyl (2R)-2-[[(2S)-2-(octadecanoylamino)propanoyl]amino]pentanedioate Traditional Name: (2R)-2-[[(2S)-2-stearamidopropanoyl]amino]glutaric acid O5-tert-butyl ester O1-methyl ester Formula: C31H58N2O6 MolecularWeight: 554.80202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C31H58N2O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(34)32-25(2)29(36)33-26(30(37)38-6)23-24-28(35)39-31(3,4)5/h25-26H,7-24H2,1-6H3,(H,32,34)(H,33,36)/t25-,26+/m0/s1