methyl ((1S,2R,4R,6S)-2-((tert-butoxycarbonyl)amino)-4-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-6-methylcyclohexyl)(methyl)carbamate

HCID 86705270
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)N(C)[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1NC(=O)OC(C)(C)C
InChIKey
GIRFVLWIBBHRHA-SEHDDTEPSA-N
Molecular formula
C32H36F3N5O5
Average molar mass
627.7 g/mol
Monoisotopic mass
627.26685375

Names & identifiers

Preferred name
methyl ((1S,2R,4R,6S)-2-((tert-butoxycarbonyl)amino)-4-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-6-methylcyclohexyl)(methyl)carbamate
IUPAC
methyl N-[(1S,2S,4R,6R)-4-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-N-methylcarbamate

Names & synonyms

SCHEMBL15589023GIRFVLWIBBHRHA-SEHDDTEPSA-Nmethyl ((1S,2R,4R,6S)-2-((tert-butoxycarbonyl)amino)-4-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-6-methylcyclohexyl)(methyl)carbamate

Database identifiers

PubChem CID
86705270

Properties

Computed structural properties

XLogP
5
Topological polar surface area
123 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
45

Related reactions

2 records
New reaction record

Linked notes

Loading…