3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid

CAS Registry Number®

71861-60-4

CAS Name

3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid

Molecular Formula

C40H46N4O17

Molecular Mass

854.81

Cite this Page

3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71861-60-4 (retrieved 2024-11-22) (CAS RN: 71861-60-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)

InChIKey

InChIKey=WDFJYRZCZIUBPR-UHFFFAOYSA-N

SMILES

C(C1=C(CCC(O)=O)C(CC(O)=O)=C(CC2=C(CCC(O)=O)C(CC(O)=O)=C(CO)N2)N1)C3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=CN4)N3

Canonical SMILES

O=C(O)CC=1C(=CNC1CC=2NC(=C(C2CCC(=O)O)CC(=O)O)CC=3NC(=C(C3CCC(=O)O)CC(=O)O)CC=4NC(=C(C4CCC(=O)O)CC(=O)O)CO)CCC(=O)O

Other Names for this Substance

  • 21H-Biline-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-
  • 3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration