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3-[6-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-1H-benzimidazol-2-yl]propanoic acid

Catalog ID
STL550930
SMILES OC(=O)CCc1[nH]c2c(n1)ccc(c2)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)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 C28H25N3O8 MW 531.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O8/c1-11-24(36)22(13(3)32)26-23(25(11)37)28(4)18(39-26)10-17(33)21(27(28)38)12(2)29-14-5-6-15-16(9-14)31-19(30-15)7-8-20(34)35/h5-6,9-10,29,36-37H,7-8H2,1-4H3,(H,30,31)(H,34,35)/b21-12+/t28-/m0/s1
InChIKey
YZBARSLCCJRCQC-ODVIPSCOSA-N
Synonyms

(RE)3(5((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)1Hbenzo(d)imidazol2yl)propanoicacid
132352328
3(6(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)1~(H)benzimidazol2yl)propanoicacid
3(6(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)1Hbenzimidazol2yl)propanoicacid
InChI=1SC28H25N3O8c11124(36)22(13(3)32)2623(25(11)37)28(4)18(3926)1017(33)21(27(28)38)12(2)2914561516(914)3119(3015)7820(34)35h56910293637H78H214H3(H3031)(H3435)b2112+t28m0s1
OC(=O)CCc1nc2c((nH)1)ccc(c2)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000828514278

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Available files

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