N-Acetyl-D-phenylalanyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-boronobutyl]-L-prolinamide
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![N-Acetyl-D-phenylalanyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-boronobutyl]-L-prolinamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/19530f0cca1842b88984f2a7d303a29f.png "N-Acetyl-D-phenylalanyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-boronobutyl]-L-prolinamide")
N-Acetyl-D-phenylalanyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-boronobutyl]-L-prolinamide
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CAS No:
130982-43-3
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Formula:
C21H33BN6O5
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Chemical Name:
N-Acetyl-D-phenylalanyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-boronobutyl]-L-prolinamide
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Synonyms:
L-Prolinamide,N-acetyl-D-phenylalanyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-boronobutyl]-;L-Prolinamide,N-acetyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)amino]-1-boronobutyl]-,(R)-;N-Acetyl-D-phenylalanyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-boronobutyl]-L-prolinamide;DuP 714;149820-98-4;156302-23-7
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CAS No:
Description
Ac-(D)Phe-Pro-boroArg-OH is a C-terminal boronic acid petide that is N-acetyl-D-phenylalanyl-L-prolyl-L-arginine in which the C-termnal carboxy group has been replaced by a borono (-B(OH)2) group. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant. It has a role as an EC 3.4.21.5 (thrombin) inhibitor and an anticoagulant. It is a C-terminal boronic acid peptide, a member of acetamides and a member of guanidines. It is a conjugate base of an Ac-(D)Phe-Pro-boroArg-OH(1+).
N-Acetyl-D-phenylalanyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-boronobutyl]-L-prolinamide Basic Attributes
460.3 g/mol
460.33
DTXSID70156826
Drug Information
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)|Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic Agents.)
Ac-Phe-Pro-boroArg-OH
Computed Properties
Molecular Weight:460.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:460.2605483
Monoisotopic Mass:460.2605483
Topological Polar Surface Area:183
Heavy Atom Count:33
Complexity:697
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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