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Chemical structure of Cyclohexylacetyl-Phe-Arg-Ser-Val-Gln-NH₂

GA21348

Cyclohexylacetyl-Phe-Arg-Ser-Val-Gln-NH₂

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-cyclohexylacetyl)amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide

A kallikrein inhibitor, Ki for human urinary kallikrein 4 μM, for human plasma kallikrein 244 μM· KKI-7 has been recommended for the in vivo inhibition of glandular kallikreins

ChemicalCAS113584-01-3MW758.92FormulaC36H58N10O8
CAS number
113584-01-3
Molecular weight
758.92
Formula
C36H58N10O8
Solubility
Soluble in DMSO
InChIKey
CQRVUZFZOUAQCT-DJNSEWAMSA-N
Catalogue number
GA21348
Brand
GLPBIO
Computed properties PubChem CID 3082667 · XLogP -0.3 · TPSA 316 Ų · H-bond donors 10
XLogP
-0.3
TPSA
316 Ų
H-bond donors
10
H-bond acceptors
9
Rotatable bonds
23
Heavy atoms
54

SMILES CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2CCCCC2

Computed descriptors from PubChem (CID 3082667), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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