methyl (S)-4-((R)-1-((S)-2-(t-butoxycarbonylamino)-3-cyclohexylpropylcarbamoyl)piperidin-3-yl)-4-(3-chloro-2-fluorophenyl)-4-hydroxybutylcarbamate

HCID 59201640
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Basic information

Standard SMILES
COC(=O)NCCC[C@@](O)(c1cccc(Cl)c1F)[C@@H]1CCCN(C(=O)NC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1
InChIKey
KTDWHLGSKRIQOD-FXZPAHAQSA-N
Molecular formula
C32H50ClFN4O6
Average molar mass
641.2 g/mol

Names & identifiers

Preferred name
methyl (S)-4-((R)-1-((S)-2-(t-butoxycarbonylamino)-3-cyclohexylpropylcarbamoyl)piperidin-3-yl)-4-(3-chloro-2-fluorophenyl)-4-hydroxybutylcarbamate
IUPAC
methyl N-[(4S)-4-(3-chloro-2-fluorophenyl)-4-[(3R)-1-[[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamoyl]piperidin-3-yl]-4-hydroxybutyl]carbamate

Names & synonyms

SCHEMBL13503013KTDWHLGSKRIQOD-FXZPAHAQSA-Nmethyl (S)-4-((R)-1-((S)-2-(t-butoxycarbonylamino)-3-cyclohexylpropylcarbamoyl)piperidin-3-yl)-4-(3-chloro-2-fluorophenyl)-4-hydroxybutylcarbamate

Database identifiers

PubChem CID
59201640

Properties

Computed structural properties

XLogP
6
Topological polar surface area
129 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
14
Heavy atoms
44

Related reactions

1 records
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Compound notes

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