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Chemical structure of Renin Fluorogenic Substrate

GC44812

Renin Fluorogenic Substrate

Also known as (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-oxo-5-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid

The renin fluorogenic substrate consists of the normal peptide substrate for renin which has been linked to the fluorophore EDANS at one end and to a non-fluorescent quenching molecule (Dabcyl) at the other

ChemicalCAS791068-69-4MW2282.7FormulaC109H156N32O21S
CAS number
791068-69-4
Molecular weight
2282.7
Formula
C109H156N32O21S
Solubility
Soluble in DMSO
InChIKey
OXWQVBKLGGDRTN-CHHGKBFYSA-N
Catalogue number
GC44812
Brand
GLPBIO
Computed properties PubChem CID 131859581 · XLogP 2.1 · TPSA 824 Ų · H-bond donors 28
XLogP
2.1
TPSA
824 Ų
H-bond donors
28
H-bond acceptors
31
Rotatable bonds
69
Heavy atoms
163

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCNC(=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)NCCNC8=CC=CC9=C8C=CC=C9S(=O)(=O)O)NC(=O)[C@H](CCCNC(=N)N)N

Computed descriptors from PubChem (CID 131859581), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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