(S)-tert-Butyl 4-(1-amino-3-(4-(2-methyl-3-oxoisoindolin-5-yl)phenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

HCID 59568554
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Basic information

Standard SMILES
CN1Cc2ccc(-c3ccc(C[C@H](NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)cc2C1=O
InChIKey
IAFPDNNXVZOJIK-QHCPKHFHSA-N
Molecular formula
C29H36N4O6
Average molar mass
536.6 g/mol
Monoisotopic mass
536.26348488

Names & identifiers

Preferred name
(S)-tert-Butyl 4-(1-amino-3-(4-(2-methyl-3-oxoisoindolin-5-yl)phenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[(2S)-1-amino-3-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

Names & synonyms

SCHEMBL7877975IAFPDNNXVZOJIK-QHCPKHFHSA-N(S)-tert-Butyl 4-(1-amino-3-(4-(2-methyl-3-oxoisoindolin-5-yl)phenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

Database identifiers

PubChem CID
59568554

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
140 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
39

Related reactions

1 records
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Compound notes

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