Rimiducid
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[[2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Molecular Identity
Rimiducid
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[[2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
PubChem CID: 16135625
2D Structure
Properties
C78H98N4O20
Molecular Formula
1411.60
Molecular Weight
g/mol
1410.6774
Exact Mass
Da
11.9
XLogP
Above Lipinski threshold
262
TPSA
May have limited oral absorption
2
H-Bond Donors
20
H-Bond Acceptors
2330
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCNC(=O)COC5=CC=CC(=C5)C(CCC6=CC(=C(C=C6)OC)OC)OC(=O)C7CCCCN7C(=O)C(CC)C8=CC(=C(C(=C8)OC)OC)OCIsomeric SMILES
SMILES: CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCNC(=O)COC5=CC=CC(=C5)[C@@H](CCC6=CC(=C(C=C6)OC)OC)OC(=O)[C@@H]7CCCCN7C(=O)[C@@H](CC)C8=CC(=C(C(=C8)OC)OC)OCSynonyms(20)
Rimiducid195514-63-7AP1903AP-1903H564L1W5J2[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[[2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate2-Piperidinecarboxylic acid, 1-((2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl)-, 2,2'-(1,2-ethanediylbis(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)-, 1,2-ethanediylbis(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*)))))-rimiducidum((1R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-(2-((2-(3-((1R)-3-(3,4-dimethoxyphenyl)-1-((2S)-1-((2S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carbonyl)oxypropyl)phenoxy)acetyl)amino)ethylamino)-2-oxoethoxy)phenyl)propyl) (2S)-1-((2S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylateRefChem:883644Rimiducid [INN]AP 1903(1R,1'R)-((((Ethane-1,2-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(oxy))bis(3,1-phenylene))bis(3-(3,4-dimethoxyphenyl)propane-1,1-diyl) (2S,2'S)-bis(1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate)Rimiducid [USAN:INN]
Data from PubChem (NCBI)
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