tert-Butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H51Cl2FN6O9
Molecular Weight	861.783
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate

Structure Search

SMILES

C[C@@H](OC1=CC(=NN=C1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NC2=CC=C(C=C2)C(=O)N3C[C@H](C)N([C@H](C)C3)C(=O)OC(C)(C)C)C4=C(Cl)C(F)=CC=C4Cl

InChI

InChIKey=VHNROZVMZXTWRD-TZRRMPRUSA-N

InChI=1S/C41H51Cl2FN6O9/c1-22-20-48(21-23(2)49(22)36(53)57-39(4,5)6)35(52)25-13-15-26(16-14-25)45-34(51)29-19-30(56-24(3)31-27(42)17-18-28(44)32(31)43)33(47-46-29)50(37(54)58-40(7,8)9)38(55)59-41(10,11)12/h13-19,22-24H,20-21H2,1-12H3,(H,45,51)/t22-,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H51Cl2FN6O9
Molecular Weight	861.783
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:31:30 GMT 2025` Edited by `admin` on `Wed Apr 02 20:31:30 GMT 2025`
Record UNII	TL45EAJ699
Record Status	`Validated (UNII)`
Record Version

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Language

tert-Butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate

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English

Code System Code Type Description

PUBCHEM

138548400

Created by admin on Wed Apr 02 20:31:30 GMT 2025 , Edited by admin on Wed Apr 02 20:31:30 GMT 2025

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FDA UNII

TL45EAJ699

Created by admin on Wed Apr 02 20:31:30 GMT 2025 , Edited by admin on Wed Apr 02 20:31:30 GMT 2025

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