octadecyl (2S)-2-[[(E)-octadec-9-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: octadecyl (2S)-2-[[(E)-octadec-9-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: octadecyl (2S)-3-hydroxy-2-[[(E)-octadec-9-enoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(E)-1-oxooctadec-9-enyl]amino]propanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-3-hydroxy-2-[[(E)-octadec-9-enoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(E)-octadec-9-enoyl]amino]propionic acid stearyl ester Formula: C39H75NO4 MolecularWeight: 622.0171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CO)NC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)[C@H](CO)NC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C39H75NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-39(43)37(36-41)40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,41H,3-17,19,21-36H2,1-2H3,(H,40,42)/b20-18+/t37-/m0/s1