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3-[(3-{4-[(3E)-4-carboxy-2-oxobut-3-en-1-yl]phenyl}-3-oxopropanoyl)amino]-4-[methyl(octadecyl)amino]benzoic acid

Catalog ID
STK367776
SMILES CCCCCCCCCCCCCCCCCCN(c1ccc(cc1NC(=O)CC(=O)c1ccc(cc1)CC(=O)/C=C/C(=O)O)C(=O)O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C40H56N2O7 MW 676.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H56N2O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-42(2)36-25-23-33(40(48)49)29-35(36)41-38(45)30-37(44)32-21-19-31(20-22-32)28-34(43)24-26-39(46)47/h19-26,29H,3-18,27-28,30H2,1-2H3,(H,41,45)(H,46,47)(H,48,49)/b26-24+
InChIKey
WBSNMEVHZSEOKH-SHHOIMCASA-N
Synonyms

3((3(4((3E)4carboxy2oxobut3en1yl)phenyl)3oxopropanoyl)amino)4(methyl(octadecyl)amino)benzoicacid
3((3(4((E)4carboxy2oxobut3enyl)phenyl)3oxopropanoyl)amino)4(methyl(octadecyl)amino)benzoicacid
3((3(4((E)5HYDROXY25DIOXOPENT3ENYL)PHENYL)3OXOPROPANOYL)AMINO)4(METHYL(OCTADECYL)AMINO)BENZOICACID
3(3(4((3E)4CARBOXY2OXOBUT3ENYL)PHENYL)3OXOPROPANOYLAMINO)4(METHYLOCTADECYLAMINO)BENZOICACID
CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)CC(=O)C2=CC=C(C=C2)CC(=O)C=CC(=O)O
CCCCCCCCCCCCCCCCCCN(c1ccc(cc1NC(=O)CC(=O)c1ccc(cc1)CC(=O)C=CC(=O)O)C(=O)O)C
InChI=1SC40H56N2O7c134567891011121314151617182742(2)36252333(40(48)49)2935(36)4138(45)3037(44)32211931(202232)2834(43)242639(46)47h192629H318272830H212H3(H4145)(H4647)(H4849)b2624+
MFCD00309075
ZINC000097962849
ZINC97962849

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Available files

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