sodium (4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: sodium (4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: sodium (4S)-5-hydroxy-4-[[(Z)-octadec-9-enoyl]amino]-5-oxo-pentanoate CAS Name: sodium (4S)-5-hydroxy-5-oxo-4-[[(Z)-1-oxooctadec-9-enyl]amino]pentanoate IUPAC Name: sodium (4S)-5-hydroxy-4-[[(Z)-octadec-9-enoyl]amino]-5-oxopentanoate Traditional Name: sodium (4S)-5-hydroxy-5-keto-4-[[(Z)-octadec-9-enoyl]amino]valerate Formula: C23H40NNaO5 MolecularWeight: 433.55717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41NO5.Na/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;+1/p-1/b10-9-;/t20-;/m0./s1