1-[N-(5-Isoquinolinesulfonyl)Tyrosyl]-4-(3-Phenylpropyl)Piperazine

HCID 53665124

Basic information

Standard SMILES
O=C([C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2cnccc12)N1CCN(CCCc2ccccc2)CC1
InChIKey
AWANOYSXMOCJRM-LJAQVGFWSA-N
Molecular formula
C31H34N4O4S
Average molar mass
558.7 g/mol

Names & identifiers

Preferred name
1-[N-(5-Isoquinolinesulfonyl)Tyrosyl]-4-(3-Phenylpropyl)Piperazine
IUPAC
N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide

Names & synonyms

SCHEMBL9483129AWANOYSXMOCJRM-LJAQVGFWSA-N1-[N-(5-Isoquinolinesulfonyl)Tyrosyl]-4-(3-Phenylpropyl)Piperazine1-[N-(5-Isoquinolinesulfonyl) tyrosyl]-4-(3-phenylpropyl)piperazine

Database identifiers

PubChem CID
53665124

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
40

Related reactions

3 records

Compound notes

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