ethyl (2S)-2-[[(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoyl]amino]-3-oxidanyl-propanoate Openeye Name: ethyl (2S)-3-hydroxy-2-[[(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(6E,9E,12E,15E)-1-oxoeicosa-6,9,12,15-tetraenyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-hydroxy-2-[[(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoyl]amino]propanoate Traditional Name: (2S)-2-[[(6E,9E,12E,15E)-eicosa-6,9,12,15-tetraenoyl]amino]-3-hydroxy-propionic acid ethyl ester Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCC=CCC=CCC=CCCCCC(=O)NC(CO)C(=O)OCC

Isomeric SMILES

CCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)N[C@@H](CO)C(=O)OCC

InChI

InChI=1S/C25H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)26-23(22-27)25(29)30-4-2/h7-8,10-11,13-14,16-17,23,27H,3-6,9,12,15,18-22H2,1-2H3,(H,26,28)/b8-7+,11-10+,14-13+,17-16+/t23-/m0/s1