(2S)-2,6-bis(azanyl)-N,N-bis(1-oxidanyl-3-oxidanylidene-octadecan-2-yl)hexanamide

Systemtic Name: (2S)-2,6-bis(azanyl)-N,N-bis(1-oxidanyl-3-oxidanylidene-octadecan-2-yl)hexanamide Openeye Name: (2S)-2,6-diamino-N,N-bis[1-(hydroxymethyl)-2-oxo-heptadecyl]hexanamide CAS Name: (2S)-2,6-diamino-N,N-bis(1-hydroxy-3-oxooctadecan-2-yl)hexanamide IUPAC Name: (2S)-2,6-diamino-N,N-bis(1-hydroxy-3-oxooctadecan-2-yl)hexanamide Traditional Name: (2S)-2,6-diamino-N,N-bis(2-keto-1-methylol-heptadecyl)hexanamide Formula: C42H83N3O5 MolecularWeight: 710.12552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CO)N(C(CO)C(=O)CCCCCCCCCCCCCCC)C(=O)C(CCCCN)N

Isomeric SMILES

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

InChI

InChI=1S/C42H83N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-40(48)38(35-46)45(42(50)37(44)31-29-30-34-43)39(36-47)41(49)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-39,46-47H,3-36,43-44H2,1-2H3/t37-,38?,39?/m0/s1