2,2′-[[2-[(Dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] bis[1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperidinecarboxylate]

CAS Registry Number®

195514-80-8
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CAS Name

2,2′-[[2-[(Dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] bis[1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperidinecarboxylate]

Molecular Formula

C82H107N5O20

Molecular Mass

1482.75

Cite this Page

2,2′-[[2-[(Dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] bis[1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperidinecarboxylate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=195514-80-8 (retrieved 2024-04-24) (CAS RN: 195514-80-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C82H107N5O20/c1-15-61(57-43-71(98-9)77(102-13)72(44-57)99-10)79(90)86-37-19-17-27-63(86)81(92)106-65(33-29-52-31-35-67(94-5)69(39-52)96-7)55-23-21-25-59(41-55)104-50-75(88)83-47-54(49-85(3)4)48-84-76(89)51-105-60-26-22-24-56(42-60)66(34-30-53-32-36-68(95-6)70(40-53)97-8)107-82(93)64-28-18-20-38-87(64)80(91)62(16-2)58-45-73(100-11)78(103-14)74(46-58)101-12/h21-26,31-32,35-36,39-46,54,61-66H,15-20,27-30,33-34,37-38,47-51H2,1-14H3,(H,83,88)(H,84,89)/t61-,62-,63-,64-,65+,66+/m0/s1

InChIKey

InChIKey=NSBGUMKAXUXKGI-BPNHAYRBSA-N

SMILES

[C@H](C(=O)N1[C@H](C(O[C@H](CCC2=CC(OC)=C(OC)C=C2)C3=CC(OCC(NCC(CNC(COC4=CC([C@H](OC(=O)[C@H]5N(C([C@@H](CC)C6=CC(OC)=C(OC)C(OC)=C6)=O)CCCC5)CCC7=CC(OC)=C(OC)C=C7)=CC=C4)=O)CN(C)C)=O)=CC=C3)=O)CCCC1)(CC)C8=CC(OC)=C(OC)C(OC)=C8

Canonical SMILES

O=C(OC(C=1C=CC=C(OCC(=O)NCC(CNC(=O)COC2=CC=CC(=C2)C(OC(=O)C3N(C(=O)C(C4=CC(OC)=C(OC)C(OC)=C4)CC)CCCC3)CCC5=CC=C(OC)C(OC)=C5)CN(C)C)C1)CCC6=CC=C(OC)C(OC)=C6)C7N(C(=O)C(C8=CC(OC)=C(OC)C(OC)=C8)CC)CCCC7

Other Names for this Substance

  • 2-Piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, 2,2′-[[2-[(dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] ester, (2S,2′S)-
  • 2-Piperidinecarboxylic acid, 1-[1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, [2-[(dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[3-(3,4-dimethoxyphenyl)propylidene]] ester, [2S-[1(R*),2R*[S*[S*[1(R*),2R*]]]]]-
  • 2-Piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, [2-[(dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]] ester, (2S,2′S)-
  • 2,2′-[[2-[(Dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] bis[1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperidinecarboxylate]
  • AP 20187

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