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Chemical structure of Aclerastide

GC72137

Aclerastide

Also known as (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid

Aclerastide (DSC-127) is an angiotensin receptor agonist

ChemicalCAS227803-63-6MW913.03FormulaC42H64N12O11
CAS number
227803-63-6
Molecular weight
913.03
Formula
C42H64N12O11
Solubility
DMSO ： ≥ 100 mg/mL (109·53 mM)
InChIKey
RUBMHAHMIJSMHA-LBWFYSSPSA-N
Catalogue number
GC72137
Brand
GLPBIO
Computed properties PubChem CID 9811551 · XLogP -2.5 · TPSA 380 Ų · H-bond donors 12
XLogP
-2.5
TPSA
380 Ų
H-bond donors
12
H-bond acceptors
14
Rotatable bonds
27
Heavy atoms
65

SMILES CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N

Computed descriptors from PubChem (CID 9811551), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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