Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-[2-(β-D-glucopyranosyloxy)ethyl]-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2)

CAS Registry Number®

173740-47-1
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CAS Name

Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-[2-(β-D-glucopyranosyloxy)ethyl]-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2)

Molecular Formula

C40H48N4O13.2K

Cite this Page

Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-[2-(β-D-glucopyranosyloxy)ethyl]-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=173740-47-1 (retrieved 2024-09-20) (CAS RN: 173740-47-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H48N4O13.2K/c1-6-19-15(2)23(44-38(19)53)11-22-17(4)21(7-8-28(47)48)32(42-22)30-31(39(54)55)35(50)29-18(5)24(43-33(29)30)12-25-20(16(3)26(13-45)41-25)9-10-56-40-37(52)36(51)34(49)27(14-46)57-40;;/h6,13,23,27,30-31,34,36-37,40-43,46,49,51-52H,1,7-12,14H2,2-5H3,(H,44,53)(H,47,48)(H,54,55);;/t23?,27-,30?,31?,34-,36+,37-,40-;;/m1../s1

InChIKey

InChIKey=XJZHPYICFDVXJX-ZEXBEZBDSA-N

SMILES

C(O)(=O)C1C(C2=C(C1=O)C(C)=C(CC3=C(CCO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)=C(C=O)N3)N2)C5=C(CCC(O)=O)C(C)=C(CC6C(C)=C(C=C)C(=O)N6)N5.[K]

Canonical SMILES

[K].O=CC=1NC(=C(C1C)CCOC2OC(CO)C(O)C(O)C2O)CC=3NC4=C(C(=O)C(C(=O)O)C4C=5NC(=C(C5CCC(=O)O)C)CC6NC(=O)C(C=C)=C6C)C3C

Other Names for this Substance

  • Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-[2-(β-D-glucopyranosyloxy)ethyl]-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2)
  • Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-[2-(β-D-glucopyranosyloxy)ethyl]-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, dipotassium salt