(2S)-2-[[4-[6,7-di(hexadecanoyloxy)heptanoylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[6,7-di(hexadecanoyloxy)heptanoylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[6,7-di(hexadecanoyloxy)heptanoylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[oxo-[4-[[1-oxo-6,7-bis(1-oxohexadecoxy)heptyl]amino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[6,7-di(hexadecanoyloxy)heptanoylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[6,7-di(hexadecanoyloxy)heptanoylamino]benzoyl]amino]glutaric acid Formula: C51H86N2O10 MolecularWeight: 887.23594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CCCCC(=O)NC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C51H86N2O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-48(57)62-41-44(63-49(58)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-29-30-32-46(54)52-43-37-35-42(36-38-43)50(59)53-45(51(60)61)39-40-47(55)56/h35-38,44-45H,3-34,39-41H2,1-2H3,(H,52,54)(H,53,59)(H,55,56)(H,60,61)/t44?,45-/m0/s1