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Chemical structure of CGP 42112

GC15406

CGP 42112

Also known as (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

angiotensin AT2 receptor ligand

ChemicalCAS127060-75-7MW1052.2FormulaC52H69N13O11
CAS number
127060-75-7
Molecular weight
1052.2
Formula
C52H69N13O11
Solubility
DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,PBS (pH 7·2): 10 mg/ml
InChIKey
UXGNARZDONUMMK-LRMQDCNJSA-N
Catalogue number
GC15406
Brand
GLPBIO
Computed properties PubChem CID 123794 · XLogP 2.2 · TPSA 368 Ų · H-bond donors 11
XLogP
2.2
TPSA
368 Ų
H-bond donors
11
H-bond acceptors
14
Rotatable bonds
30
Heavy atoms
76

SMILES CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C5=CN=CC=C5

Computed descriptors from PubChem (CID 123794), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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