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
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CAS Name
3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acidMolecular Formula
C40H46N4O17Molecular Mass
854.81Cite 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 ) (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
