2-[[2-azanyl-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-azanyl-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-amino-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-amino-3-[2,3-bis(1-oxohexadecoxy)propylthio]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-amino-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-amino-3-[2,3-di(hexadecanoyloxy)propylthio]propanoyl]amino]glutaric acid Formula: C43H80N2O9S MolecularWeight: 801.1683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NC(CCC(=O)O)C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NC(CCC(=O)O)C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C43H80N2O9S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(48)53-33-36(34-55-35-37(44)42(50)45-38(43(51)52)31-32-39(46)47)54-41(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38H,3-35,44H2,1-2H3,(H,45,50)(H,46,47)(H,51,52)