S-[(4S,5R,6E,8E,10Z,12E,14S)-1-Carboxy-4,14-dihydroxy-6,8,10,12-nonadecatetraen-5-yl]-L-cysteinylglycine
[CAS# 85994-54-3]

Identification

• Name: S-[(4S,5R,6E,8E,10Z,12E,14S)-1-Carboxy-4,14-dihydroxy-6,8,10,12-nonadecatetraen-5-yl]-L-cysteinylglycine
• Synonyms: Glycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-10-hydroxy-2,4,6,8-pentadecatetraenyl)-L-cysteinyl)-, (1R-(1R*(S*),2E,4E,6Z,8E,10S*))-; glycine, S-[(1R,2E,4E,6Z,8E,10S)-1-[(1S)-4-carboxy-1-hydroxybutyl]-10-hydroxy-2,4,6,8-pentadecatetraen-1-yl]-L-cysteinyl-
• Molecular Formula: C₂₅H₄₀N₂O₇S
• Molecular Weight: 512.66
• CAS Registry Number: 85994-54-3
• SMILES: O=C(NCC(=O)O)[C@@H](N)CS[C@H](\C=C\C=C\C=C/C=C/[C@@H](O)CCCCC)[C@@H](O)CCCC(=O)O
• InChI: 1S/C25H40N2O7S/c1-2-3-8-12-19(28)13-9-6-4-5-7-10-15-22(21(29)14-11-16-23(30)31)35-18-20(26)25(34)27-17-24(32)33/h4-7,9-10,13,15,19-22,28-29H,2-3,8,11-12,14,16-18,26H2,1H3,(H,27,34)(H,30,31)(H,32,33)/b6-4-,7-5+,13-9+,15-10+/t19-,20-,21-,22+/m0/s1
• InChIKey: UBZUEDFBRKNTOQ-VPZYMNCUSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 825.357°C at 760 mmHg (Cal.)
• Flash point: 452.96°C (Cal.)