2-[[(3R)-14-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxy-pentadecanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(3R)-14-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxy-pentadecanoyl]amino]ethanoic acid Openeye Name: 2-[[(3R)-14-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxy-pentadecanoyl]amino]acetic acid CAS Name: 2-[[(3R)-14-methyl-3-[(Z)-13-methyl-1-oxotetradec-4-enoxy]-1-oxopentadecyl]amino]acetic acid IUPAC Name: 2-[[(3R)-14-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxypentadecanoyl]amino]acetic acid Traditional Name: 2-[[(3R)-14-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxy-pentadecanoyl]amino]acetic acid Formula: C33H61NO5 MolecularWeight: 551.84114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCC(CC(=O)NCC(=O)O)OC(=O)CCC=CCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCC[C@H](CC(=O)NCC(=O)O)OC(=O)CC/C=C\CCCCCCCC(C)C

InChI

InChI=1S/C33H61NO5/c1-28(2)22-18-14-10-6-5-7-13-17-21-25-33(38)39-30(26-31(35)34-27-32(36)37)24-20-16-12-9-8-11-15-19-23-29(3)4/h13,17,28-30H,5-12,14-16,18-27H2,1-4H3,(H,34,35)(H,36,37)/b17-13-/t30-/m1/s1