Propanedioic acid, 1-[2-[2-[[5-carboxy-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]-1,4,5,6-tetrahydro-3-methyl-4-oxocyclopenta[b]pyrrol-2-yl]methyl]-5-formyl-4-methyl-1H-pyrrol-3-yl]ethyl] ester

CAS Registry Number®

152571-56-7

CAS Name

Propanedioic acid, 1-[2-[2-[[5-carboxy-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]-1,4,5,6-tetrahydro-3-methyl-4-oxocyclopenta[b]pyrrol-2-yl]methyl]-5-formyl-4-methyl-1H-pyrrol-3-yl]ethyl] ester

Molecular Formula

C37H40N4O11

Molecular Mass

716.73

Cite this Page

Propanedioic acid, 1-[2-[2-[[5-carboxy-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]-1,4,5,6-tetrahydro-3-methyl-4-oxocyclopenta[b]pyrrol-2-yl]methyl]-5-formyl-4-methyl-1H-pyrrol-3-yl]ethyl] ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152571-56-7 (retrieved 2024-11-05) (CAS RN: 152571-56-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H40N4O11/c1-6-19-15(2)23(41-36(19)49)11-22-17(4)21(7-8-27(43)44)33(39-22)31-32(37(50)51)35(48)30-18(5)24(40-34(30)31)12-25-20(16(3)26(14-42)38-25)9-10-52-29(47)13-28(45)46/h6,14,23,31-32,38-40H,1,7-13H2,2-5H3,(H,41,49)(H,43,44)(H,45,46)(H,50,51)

InChIKey

InChIKey=GVQYIMKPSDOTAH-UHFFFAOYSA-N

SMILES

C(O)(=O)C1C(C2=C(C1=O)C(C)=C(CC3=C(CCOC(CC(O)=O)=O)C(C)=C(C=O)N3)N2)C4=C(CCC(O)=O)C(C)=C(CC5C(C)=C(C=C)C(=O)N5)N4

Canonical SMILES

O=CC=1NC(=C(C1C)CCOC(=O)CC(=O)O)CC=2NC3=C(C(=O)C(C(=O)O)C3C=4NC(=C(C4CCC(=O)O)C)CC5NC(=O)C(C=C)=C5C)C2C

Other Names for this Substance

  • Propanedioic acid, 1-[2-[2-[[5-carboxy-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]-1,4,5,6-tetrahydro-3-methyl-4-oxocyclopenta[b]pyrrol-2-yl]methyl]-5-formyl-4-methyl-1H-pyrrol-3-yl]ethyl] ester
  • Propanedioic acid, mono[2-[2-[[5-carboxy-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]-1,4,5,6-tetrahydro-3-methyl-4-oxocyclopenta[b]pyrrol-2-yl]methyl]-5-formyl-4-methyl-1H-pyrrol-3-yl]ethyl] ester
  • Cyclopenta[b]pyrrole, propanedioic acid deriv.
  • Bn-NCC 1

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