(2S)-2,5-bis(azanyl)-N,N-bis(2-oxidanyl-3-oxidanylidene-octadecan-2-yl)pentanamide

Systemtic Name: (2S)-2,5-bis(azanyl)-N,N-bis(2-oxidanyl-3-oxidanylidene-octadecan-2-yl)pentanamide Openeye Name: (2S)-2,5-diamino-N,N-bis(1-hydroxy-1-methyl-2-oxo-heptadecyl)pentanamide CAS Name: (2S)-2,5-diamino-N,N-bis(2-hydroxy-3-oxooctadecan-2-yl)pentanamide IUPAC Name: (2S)-2,5-diamino-N,N-bis(2-hydroxy-3-oxooctadecan-2-yl)pentanamide Traditional Name: (2S)-2,5-diamino-N,N-bis(1-hydroxy-2-keto-1-methyl-heptadecyl)valeramide Formula: C41H81N3O5 MolecularWeight: 696.09894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C)(N(C(=O)C(CCCN)N)C(C)(C(=O)CCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C)(N(C(=O)[C@H](CCCN)N)C(C)(C(=O)CCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C41H81N3O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37(45)40(3,48)44(39(47)36(43)32-31-35-42)41(4,49)38(46)34-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36,48-49H,5-35,42-43H2,1-4H3/t36-,40?,41?/m0/s1