Molecules/tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C36H51N6O9S-743.90 g/molCID 105539867

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Molecular Identity

tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

PubChem CID: 105539867

2D Structure

Properties

C₃₆H₅₁N₆O₉S-

Molecular Formula

743.90

Molecular Weight

g/mol

743.3438

Exact Mass

4.5

XLogP

Drug-like (Lipinski: < 5)

204

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

1450

Complexity

SMILES

Canonical SMILES

SMILES: CCC1=NC2=C(C=C(C=C2)OC)N=C1OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC4(CC4C[CH2-])C(=O)NS(=O)(=O)C5CC5

Isomeric SMILES

SMILES: CCC1=NC2=C(C=C(C=C2)OC)N=C1O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4C[CH2-])C(=O)NS(=O)(=O)C5CC5

Synonyms(1)

5RS

Data from PubChem (NCBI)

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Molecular Structure

tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

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2D molecular structure of tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Source: PubChem

Drug Network

Trials and conditions connected to tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

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