hexadecyl (2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: hexadecyl (2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: hexadecyl (2S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(Z)-1-oxooctadec-9-enyl]amino]propanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propionic acid cetyl ester Formula: C37H71NO4 MolecularWeight: 593.96394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H71NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36(40)38-35(34-39)37(41)42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35,39H,3-16,18,20-34H2,1-2H3,(H,38,40)/b19-17-/t35-/m0/s1