Name: H-CYS-SER-CYS-SER-SER-TRP-LEU-ASP-LYS-GLU-CYS-VAL-TYR-PHE-CYS-HIS-LEU-ASP-ILE-ILE-TRP-OH
SKU: 123562-20-9

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Basic Information

Molecular Structure:
CAS No.:	123562-20-9
Name:	H-CYS-SER-CYS-SER-SER-TRP-LEU-ASP-LYS-GLU-CYS-VAL-TYR-PHE-CYS-HIS-LEU-ASP-ILE-ILE-TRP-OH

Formula:	C₁₁₅H₁₆₀N₂₆O₃₂S₄
Molecular Weight:	2546.92
Synonyms:	Endothelin1 (pig), 6-L-tryptophan-7-L-leucine-;16: PN: WO2007112069 SEQID: 7 claimed protein;Endothelin 2 (Canis familiaris);Human endothelin-2;L-Tryptophan,L-cysteinyl-L-seryl-L-cysteinyl-L-seryl-L-seryl-L-tryptophyl-L-leucyl-L-a-aspartyl-L-lysyl-L-a-glutamyl-L-cysteinyl-L-valyl-L-tyrosyl-L-phenylalanyl-L-cysteinyl-L-histidyl-L-leucyl-L-a-aspartyl-L-isoleucyl-L-isoleucyl-,cyclic (1?;
Hazard Symbols:	T+
Risk Codes:	26/27/28
Safety:	28-36/37-45
Transport Information:	UN 2811 6.1/PG 1
PSA:	1025.62000
LogP:	4.59880

Total:27 Page 1 of 1 1

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Specification

The Endothelin 2 (human)(9CI), with the CAS registry number 123562-20-9, belongs to the following product categories: Peptide; AgonistsApplication Index; Chymase and Related Products; Cell Signaling Enzymes; Endothelins; Peptides for Cell Biology; Endothelin receptor. It is a kind of white powder, and the molecular formula of the chemical is C₁₁₅H₁₆₀N₂₆O₃₂S₄. What's more, it should be stored at -20°C.

The characteristics of Endothelin 2 (human)(9CI) are as followings: (1)XLogP3-AA: -2.6; (2)H-Bond Donor: 33; (3)H-Bond Acceptor: 35; (4)Rotatable Bond Count: 46; (5)Tautomer Count: 998; (6)Exact Mass: 2546.060835; (7)MonoIsotopic Mass: 2545.05748; (8)Topological Polar Surface Area: 1030; (9)Heavy Atom Count: 177; (10)Formal Charge: 0; (11)Complexity: 5550; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 23; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You should be cautious while dealing with this chemical. It is very Toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible); After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC=N3)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC6=CC=CC=C6)CC7=CC=C(C=C7)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)CC8=CNC9=CC=CC=C98)CC(C)C)CC(=O)O)CCCCN)CCC(=O)O)CO)N
(2)InChI: InChI=1S/C115H160N26O32S4/c1-11-59(9)93(113(170)132-82(115(172)173)41-64-46-120-71-27-19-17-25-68(64)71)141-114(171)94(60(10)12-2)140-105(162)81(44-91(150)151)130-99(156)75(37-57(5)6)125-103(160)79(42-65-47-118-55-121-65)128-109(166)86-52-175-174-51-69(117)95(152)133-83(48-142)108(165)138-87-53-176-177-54-88(111(168)139-92(58(7)8)112(169)131-77(39-62-29-
31-66(145)32-30-62)100(157)126-76(101(158)137-86)38-61-22-14-13-15-23-61)136-97(154)73(33-34-89(146)147)123-96(153)72(28-20-21-35-116)122-104(161)80(43-90(148)149)129-98(155)74(36-56(3)4)124-102(159)78(40-63-45-119-70-26-18-16-24-67(63)70)127-106(163)84(49-143)134-107(164)85(50-144)135-110(87)167/h13-19,22-27,29-32,45-47,55-60,69,72-88,92-94,119-120,142-145H,11-12,20-21,28,33-44,48-54,116-117H2,1-10H3,(H,118,121)(H,122,161)(H,123,153)(H,124,159)(H,125,160)(H,126,157)(H,127,163)(H,128,166)(H,129,155)(H,130,156)(H,131,169)(H,132,170)(H,133,152)(H,134,164)(H,135,167)(H,136,154)(H,137,158)(H,138,165)(H,139,168)(H,140,162)(H,141,171)(H,146,147)(H,148,149)(H,150,151)(H,172,173)
(3)InChIKey: QZGXYVCFHDTRMW-UHFFFAOYAT

123562-20-9

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