2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid

Systemtic Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid Openeye Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid CAS Name: 2-[[(5E,8E,11E,14E,17E)-1-oxoeicosa-5,8,11,14,17-pentaenyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid IUPAC Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid Traditional Name: 2-[[(5E,8E,11E,14E,17E)-eicosa-5,8,11,14,17-pentaenoyl]amino]-3-(4-phosphonooxyphenyl)propionic acid Formula: C29H40NO7P MolecularWeight: 545.604161

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)O

InChI

InChI=1S/C29H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(31)30-27(29(32)33)24-25-20-22-26(23-21-25)37-38(34,35)36/h3-4,6-7,9-10,12-13,15-16,20-23,27H,2,5,8,11,14,17-19,24H2,1H3,(H,30,31)(H,32,33)(H2,34,35,36)/b4-3+,7-6+,10-9+,13-12+,16-15+