(2S)-2,6-bis(azanyl)-N,N-bis[(Z)-1-oxidanyl-3-oxidanylidene-icos-11-en-2-yl]hexanamide

Systemtic Name: (2S)-2,6-bis(azanyl)-N,N-bis[(Z)-1-oxidanyl-3-oxidanylidene-icos-11-en-2-yl]hexanamide Openeye Name: (2S)-2,6-diamino-N,N-bis[(Z)-1-(hydroxymethyl)-2-oxo-nonadec-10-enyl]hexanamide CAS Name: (2S)-2,6-diamino-N,N-bis[(Z)-1-hydroxy-3-oxoeicos-11-en-2-yl]hexanamide IUPAC Name: (2S)-2,6-diamino-N,N-bis[(Z)-1-hydroxy-3-oxoicos-11-en-2-yl]hexanamide Traditional Name: (2S)-2,6-diamino-N,N-bis[(Z)-2-keto-1-methylol-nonadec-10-enyl]hexanamide Formula: C46H87N3O5 MolecularWeight: 762.20008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(CO)N(C(CO)C(=O)CCCCCCCC=CCCCCCCCC)C(=O)C(CCCCN)N

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)C(N(C(=O)[C@@H](N)CCCCN)C(C(=O)CCCCCCC/C=C\CCCCCCCC)CO)CO

InChI

InChI=1S/C46H87N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-44(52)42(39-50)49(46(54)41(48)35-33-34-38-47)43(40-51)45(53)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41-43,50-51H,3-16,21-40,47-48H2,1-2H3/b19-17-,20-18-/t41-,42?,43?/m0/s1