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Abz-FR-K (Dnp) -P-OH

CAT: 1410-M30381Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M30381Size:1 Each
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Description
Excellent angiotensin I-converting enzyme (ACE) substrate with a Km value of 4.0 μM and a kcat value of 210s-1.
CAS Number
500799-61-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
831.87
Molecular Formula
C39H49N11O10
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Abz-FR-K(Dnp)-P-OH
CAS Number500799-61-1
PubChem CID102077875
IUPAC Name(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-(2,4-dinitroanilino)hexanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC39H49N11O10
Molecular Weight831.9
XLogP3.6
Topological Polar Surface Area339
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count20
Heavy Atom Count60
Formal Charge0
Complexity1510
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4N)C(=O)O
InChI
InChI=1S/C39H49N11O10/c40-27-13-5-4-12-26(27)34(51)47-31(22-24-10-2-1-3-11-24)36(53)45-29(15-8-20-44-39(41)42)35(52)46-30(37(54)48-21-9-16-32(48)38(55)56)14-6-7-19-43-28-18-17-25(49(57)58)23-33(28)50(59)60/h1-5,10-13,17-18,23,29-32,43H,6-9,14-16,19-22,40H2,(H,45,53)(H,46,52)(H,47,51)(H,55,56)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1
InChIKey
ZEWJTBVOMMZVAU-YDPTYEFTSA-N
Chemical Structure
2D Structure
2D structure of Abz-FR-K(Dnp)-P-OH
CAS: 500799-61-1
CID: 102077875
Formula: C39H49N11O10
MW: 831.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight831.9
XLogP33.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count20
Exact Mass831.36638680
Monoisotopic Mass831.36638680
Topological Polar Surface Area339 Ų
Heavy Atom Count60
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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