5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL]AMINO]PHENOXY]ISOPHTHALIC ACID

CAS No.
17725-27-8
CCD No.
CCD00071101
Formula
C42 H52 N2 O10
MolWeight
744.877

Basic Information

Product Name: 5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL]AMINO]PHENOXY]ISOPHTHALIC ACID
CAS: 17725-27-8
English Synonyms: 5-(4-CARBOXY-2-(3-[4-(OCTADECANOYLAMINO)PHENYL]-3-OXOPROPANOYLAMINO)PHENOXY)BE NZENE-1,3-DICARBOXYLIC ACID ; 5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL]AMINO]PHENOXY]ISOPHTHALIC ACID ; 4-OCTADECANAMIDO-BENZOYLACETIC ACID-[2-(3,5-DICARBOXY-PHENOXY)-5-CARBOXY]-ANILIDE
MDL Number.: MFCD00143361
H bond acceptor: 12
H bond donor: 5
Smile: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Nc2cc(ccc2Oc3cc(cc(c3)C(=O)O)C(=O)O)C(=O)O
InChi: InChI=1S/C42H52N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-38(46)43-33-21-18-29(19-22-33)36(45)28-39(47)44-35-27-30(40(48)49)20-23-37(35)54-34-25-31(41(50)51)24-32(26-34)42(52)53/h18-27H,2-17,28H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)(H,52,53)
InChiKey: InChIKey=QSQBOKJNONRHQL-UHFFFAOYSA-N

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