(S)-tert-butyl 4-(1-amino-3-(4'-(ethylsulfonyl)biphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

HCID 59568601
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Basic information

Standard SMILES
CCS(=O)(=O)c1ccc(-c2ccc(C[C@H](NC(=O)C3(NC(=O)OC(C)(C)C)CCOCC3)C(N)=O)cc2)cc1
InChIKey
BNRMQZNVXFLSKF-QHCPKHFHSA-N
Molecular formula
C28H37N3O7S
Average molar mass
559.7 g/mol

Names & identifiers

Preferred name
(S)-tert-butyl 4-(1-amino-3-(4'-(ethylsulfonyl)biphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[(2S)-1-amino-3-[4-(4-ethylsulfonylphenyl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

Names & synonyms

SCHEMBL2892835BNRMQZNVXFLSKF-QHCPKHFHSA-N(S)-tert-butyl 4-(1-amino-3-(4'-(ethylsulfonyl)biphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

Database identifiers

PubChem CID
59568601

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
162 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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