disodium (2S)-2-[[(Z)-octadec-9-enoyl]amino]pentanedioate

Systemtic Name: disodium (2S)-2-[[(Z)-octadec-9-enoyl]amino]pentanedioate Openeye Name: disodium (2S)-2-[[(Z)-octadec-9-enoyl]amino]pentanedioate CAS Name: disodium (2S)-2-[[(Z)-1-oxooctadec-9-enyl]amino]pentanedioate IUPAC Name: disodium (2S)-2-[[(Z)-octadec-9-enoyl]amino]pentanedioate Traditional Name: disodium (2S)-2-[[(Z)-octadec-9-enoyl]amino]glutarate Formula: C23H39NNa2O5 MolecularWeight: 455.539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H41NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;;/h9-10,20H,2-8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);;/q;2*+1/p-2/b10-9-;;/t20-;;/m0../s1