(S)-tert-Butyl 4-(1-amino-3-(4'-(azetidin-1-ylsulfonyl)biphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

HCID 70213622
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2)C(N)=O)CCOCC1
InChIKey
WVNVFDKDZKBRFD-DEOSSOPVSA-N
Molecular formula
C29H38N4O7S
Average molar mass
586.7 g/mol
Monoisotopic mass
586.24612074

Names & identifiers

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

Names & synonyms

SCHEMBL7873388WVNVFDKDZKBRFD-DEOSSOPVSA-N(S)-tert-Butyl 4-(1-amino-3-(4'-(azetidin-1-ylsulfonyl)biphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

Database identifiers

PubChem CID
70213622

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
166 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
41

Related reactions

2 records
New reaction record

Compound notes

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