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zinc (2S)-2-azanyl-6-(octadecanoylamino)hexanoate

zinc (2S)-2-azanyl-6-(octadecanoylamino)hexanoate

Systemtic Name:zinc (2S)-2-azanyl-6-(octadecanoylamino)hexanoate
Openeye Name:zinc (2S)-2-amino-6-(octadecanoylamino)hexanoate
CAS Name:zinc (2S)-2-amino-6-(1-oxooctadecylamino)hexanoate
IUPAC Name:zinc (2S)-2-amino-6-(octadecanoylamino)hexanoate
Traditional Name:zinc (2S)-2-amino-6-stearamido-hexanoate
Formula: C48H94N4O6Zn
MolecularWeight: 888.69216
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C24H48N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29;/h2*22H,2-21,25H2,1H3,(H,26,27)(H,28,29);/q;;+2/p-2/t2*22-;/m00./s1


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