(2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propionic acid Formula: C21H37NO4 MolecularWeight: 367.52278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C21H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26/h6-7,9-10,19,23H,2-5,8,11-18H2,1H3,(H,22,24)(H,25,26)/b7-6-,10-9-/t19-/m0/s1