2-[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[2-[[15-methyl-3-(13-methyl-1-oxotetradecoxy)-1-oxohexadecyl]amino]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]butyric acid Formula: C38H72N2O7 MolecularWeight: 668.98748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)NC(C(C)O)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)NC(C(C)O)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C

InChI

InChI=1S/C38H72N2O7/c1-30(2)24-20-16-12-8-6-10-14-18-22-26-33(28-34(42)39-29-35(43)40-37(32(5)41)38(45)46)47-36(44)27-23-19-15-11-7-9-13-17-21-25-31(3)4/h30-33,37,41H,6-29H2,1-5H3,(H,39,42)(H,40,43)(H,45,46)