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Home Other Building Blocks HIRUDIN (54-65) (DESULFATED)

HIRUDIN (54-65) (DESULFATED)

CAS No.:
113274-56-9
Catalog Number:
AG008T7U
Molecular Formula:
C66H93N13O25
Molecular Weight:
1468.5167
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Product Description
Catalog Number:
AG008T7U
Chemical Name:
HIRUDIN (54-65) (DESULFATED)
CAS Number:
113274-56-9
Molecular Formula:
C66H93N13O25
Molecular Weight:
1468.5167
MDL Number:
MFCD00076563
IUPAC Name:
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C66H93N13O25/c1-5-34(4)55(78-59(96)41(21-26-53(89)90)71-56(93)38(18-23-50(83)84)72-61(98)44(29-35-10-7-6-8-11-35)77-63(100)46(31-54(91)92)69-49(82)32-67)65(102)79-27-9-12-47(79)64(101)73-40(20-25-52(87)88)57(94)70-39(19-24-51(85)86)58(95)76-45(30-36-13-15-37(80)16-14-36)62(99)75-43(28-33(2)3)60(97)74-42(66(103)104)17-22-48(68)81/h6-8,10-11,13-16,33-34,38-47,55,80H,5,9,12,17-32,67H2,1-4H3,(H2,68,81)(H,69,82)(H,70,94)(H,71,93)(H,72,98)(H,73,101)(H,74,97)(H,75,99)(H,76,95)(H,77,100)(H,78,96)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,103,104)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,55-/m0/s1
InChI Key:
ZNEKMMIWGPUTGR-SQJOKQRMSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O
Properties
Complexity:
3050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
12  
Defined Bond Stereocenter Count:
0
Exact Mass:
1467.641g/mol
Formal Charge:
0
Heavy Atom Count:
104  
Hydrogen Bond Acceptor Count:
26  
Hydrogen Bond Donor Count:
19  
Isotope Atom Count:
0
Molecular Weight:
1468.536g/mol
Monoisotopic Mass:
1467.641g/mol
Rotatable Bond Count:
47  
Topological Polar Surface Area:
624A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5  
Literature
Title Journal
Thrombin inhibits the anti-myeloperoxidase and ferroxidase functions of ceruloplasmin: relevance in rheumatoid arthritis. Free radical biology & medicine 20150901
Intraovarian thrombin and activated protein C signaling system regulates steroidogenesis during the periovulatory period. Molecular endocrinology (Baltimore, Md.) 20120201
Patients with a history of type II heparin-induced thrombocytopenia with thrombosis requiring cardiac surgery with cardiopulmonary bypass: a prospective observational case series. Anesthesia and analgesia 20030201
Heparin in patients with heparin-induced thrombocytopenia type II requiring LVAD implantation and cardiac transplantation. The Journal of heart and lung transplantation : the official publication of the International Society for Heart Transplantation 20000501
Use of recombinant hirudin in patients with heparin-induced thrombocytopenia with thrombosis requiring cardiopulmonary bypass. Anesthesiology 20000101
Direct thrombin inhibitors. Haemostasis 19991201
Heparin induced thrombocytopenia. Experiences in 12 heart surgery patients. ASAIO journal (American Society for Artificial Internal Organs : 1992) 19970101
A four-hour infusion of recombinant hirudin results in long-term inhibition of arterial-type thrombosis in baboons. Blood 19950601
Stroke risk with higher heparin, hirudin dosages halts studies. American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists 19950101
Randomized trial of intravenous heparin versus recombinant hirudin for acute coronary syndromes. The Global Use of Strategies to Open Occluded Coronary Arteries (GUSTO) IIa Investigators. Circulation 19941001
Hirudin therapy for heparin-associated thrombocytopenia and deep venous thrombosis. American journal of hematology 19930801
Hirudin in disseminated intravascular coagulation. Haemostasis 19910101
Properties