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CAS No.: | 117399-94-7 |
---|---|
Name: | ENDOTHELIN 1 HUMAN, PORCINE |
Molecular Structure: | |
Formula: | C109H159N25O32S5 |
Molecular Weight: | 2491.9 |
Synonyms: | Endothelin1 (pig);10: PN: WO2007112069 SEQID: 1 claimed protein;Endothelin (porcine);Endothelin 1 (Rana ridibunda);Endothelin 1 (human);Endothelin 1 (rat);Human endothelin;Human endothelin 1;Human endothelin(1-21);Porcine endothelin;Porcine endothelin(1-21);Porcine endothelin-1;Endothelin 1 (swine); |
Density: | 1.273±0.06 g/cm3(Predicted) |
Boiling Point: | 2467.3±65.0 °C(Predicted) |
Solubility: | Soluble in water. |
Appearance: | white powder |
PSA: | 1035.13000 |
LogP: | 3.62790 |
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1. Introduction of Endothelin 1
The Endothelin 1, with CAS registry number 117399-94-7, belongs to the following product categories: (1)Peptide; (2)Endothelin receptor. This chemical is a kind of white powder. And this chemical should be stored at the temperature of −20°C.
2. Structure Descriptors of Endothelin 1
You can still convert the following datas into molecular structure:
(1)SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc3c[nH]cn3)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)Cc6ccccc6)Cc7ccc(cc7)O)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)CO)N
(2)InChI: InChI=1/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1
(3)InChIKey: ZUBDGKVDJUIMQQ-ZTNLKOGPBJ
(4)Std. InChI: InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1
(5)Std. InChIKey: ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N