2-[2-[[15-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxy-hexadecanoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[2-[[15-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxy-hexadecanoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-[[15-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxy-hexadecanoyl]amino]acetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-[[15-methyl-3-[(Z)-13-methyl-1-oxotetradec-4-enoxy]-1-oxohexadecyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-[[15-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxyhexadecanoyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-[[15-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxy-hexadecanoyl]amino]acetyl]amino]propionic acid Formula: C37H68N2O7 MolecularWeight: 652.94502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)NC(CO)C(=O)O)OC(=O)CCC=CCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)NC(CO)C(=O)O)OC(=O)CC/C=C\CCCCCCCC(C)C

InChI

InChI=1S/C37H68N2O7/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(27-34(41)38-28-35(42)39-33(29-40)37(44)45)46-36(43)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h14,18,30-33,40H,5-13,15-17,19-29H2,1-4H3,(H,38,41)(H,39,42)(H,44,45)/b18-14-