calcium (2S)-2-azanyl-6-(1-oxidanidyloctadecylideneamino)hexanoate

Systemtic Name: calcium (2S)-2-azanyl-6-(1-oxidanidyloctadecylideneamino)hexanoate Openeye Name: calcium (2S)-2-amino-6-(1-oxidooctadecylideneamino)hexanoate CAS Name: calcium (2S)-2-amino-6-(1-oxidooctadecylideneamino)hexanoate IUPAC Name: calcium (2S)-2-amino-6-(1-oxidooctadecylideneamino)hexanoate Traditional Name: calcium (2S)-2-amino-6-(1-oxidooctadecylideneamino)hexanoate Formula: C24H46CaN2O3 MolecularWeight: 450.71164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=NCCCCC(C(=O)[O-])N)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=NCCCC[C@@H](C(=O)[O-])N)[O-].[Ca+2]

InChI

InChI=1S/C24H48N2O3.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29;/h22H,2-21,25H2,1H3,(H,26,27)(H,28,29);/q;+2/p-2/t22-;/m0./s1