1-Benzyloxycarbonyl-4-[N-(5-isoquinolinesulfonyl)tyrosyl]homopiperazine

HCID 22842192
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Basic information

Standard SMILES
O=C(OCc1ccccc1)N1CCCN(C(=O)[C@H](Cc2ccc(O)cc2)NS(=O)(=O)c2cccc3cnccc23)CC1
InChIKey
NSJNNZXGSIVLIZ-NDEPHWFRSA-N
Molecular formula
C31H32N4O6S
Average molar mass
588.7 g/mol

Names & identifiers

Preferred name
1-Benzyloxycarbonyl-4-[N-(5-isoquinolinesulfonyl)tyrosyl]homopiperazine
IUPAC
benzyl 4-[(2S)-3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propanoyl]-1,4-diazepane-1-carboxylate

Names & synonyms

SCHEMBL9483660NSJNNZXGSIVLIZ-NDEPHWFRSA-N1-Benzyloxycarbonyl-4-[N-(5-isoquinolinesulfonyl)tyrosyl]homopiperazine

Database identifiers

PubChem CID
22842192

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
138 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
42

Related reactions

2 records
New reaction record

Linked notes

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