(2S)-2,5-bis(azanyl)-N,N-bis[(Z)-1-oxidanyl-3-oxidanylidene-icos-11-en-2-yl]pentanamide

Systemtic Name: (2S)-2,5-bis(azanyl)-N,N-bis[(Z)-1-oxidanyl-3-oxidanylidene-icos-11-en-2-yl]pentanamide Openeye Name: (2S)-2,5-diamino-N,N-bis[(Z)-1-(hydroxymethyl)-2-oxo-nonadec-10-enyl]pentanamide CAS Name: (2S)-2,5-diamino-N,N-bis[(Z)-1-hydroxy-3-oxoeicos-11-en-2-yl]pentanamide IUPAC Name: (2S)-2,5-diamino-N,N-bis[(Z)-1-hydroxy-3-oxoicos-11-en-2-yl]pentanamide Traditional Name: (2S)-2,5-diamino-N,N-bis[(Z)-2-keto-1-methylol-nonadec-10-enyl]valeramide Formula: C45H85N3O5 MolecularWeight: 748.1735

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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(CCCN)N

Isomeric SMILES

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

InChI

InChI=1S/C45H85N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43(51)41(38-49)48(45(53)40(47)34-33-37-46)42(39-50)44(52)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40-42,49-50H,3-16,21-39,46-47H2,1-2H3/b19-17-,20-18-/t40-,41?,42?/m0/s1