CAS No.59004-96-5,ALPHA-ENDORPHIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	59004-96-5
Name:	ALPHA-ENDORPHIN

Formula:	C₇₇H₁₂₀N₁₈O₂₆S
Molecular Weight:	1745.97
Synonyms:	154: PN: WO0069900SEQID: 819 unclaimed sequence;155: PN: WO0069900 SEQID: 820 unclaimedsequence;15: PN: WO2008008805 SEQID: 15 unclaimed protein;17: PN:US20010010919 SEQID: 8 unclaimed sequence;185: PN: US20060293232 PAGE: 16unclaimed sequence;20: PN: WO2009012472 SEQID: 20 unclaimed sequence;22: PN:WO2006068768 SEQID: 20 claimed sequence;232: PN: WO2007106799 SEQID: 291unclaimed sequence;293: PN: US20090048431 SEQID: 291 claimed sequence;486:PN: US20080312157 SEQID: 550 unclaimed sequence;61-76-β-Lipotropin (sheep);64: PN:US20090104234 SEQID: 64 unclaimed protein;666: PN: US20090175821 SEQID: 819claimed protein;Human β-endorphin-(1-16);L-Threonine,L-tyrosylglycylglycyl-L-phenylalanyl-L-methionyl-L-threonyl-L-seryl-L-a-glutamyl-L-lysyl-L-seryl-L-glutaminyl-L-threonyl-L-prolyl-L-leucyl-L-valyl-;Porcine α-endorphin;α-Endorphin (human);α-Endorphin (pig);α-Endorphin (porcine);
EINECS:	262-330-3
Safety:	22-24/25
PSA:	744.12000
LogP:	-1.01680

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Specification

The α-Endorphin (sheep), with the CAS registry number of 59004-96-5, is also known as α-Endorphin (human). It belongs to the product category of Peptide. Its EINECS registry number is 262-330-3. This chemical's molecular formula is C₇₇H₁₂₀N₁₈O₂₆S and molecular weight is 1745.95. What's more, its IUPAC name is 5-[[6-Amino-1-[[1-[[5-amino-1-[[1-[2-[[1-[[1-[(1, 3-dihydroxy-1-oxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1, 5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid. In addition, it must be stored at -20 °C. Meanwhile, it should be avoided contact with water.

Physical properties about α-Endorphin (sheep) are: (1)XLogP3-AA -9.7; (2)H-Bond Donor: 25; (3)H-Bond Acceptor: 28; (4)Rotatable Bond Count: 55; (5)Tautomer Count: 1001; (6)Exact Mass: 1744.834187; (7)MonoIsotopic Mass: 1744.834187; (8)Topological Polar Surface Area: 744; (9)Heavy Atom Count: 122; (10)Formal Charge: 0; (11)Complexity: 3520; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 17; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N
(2) InChI: InChI=1S/C77H120N18O26S/c1-38(2)31-51(70(113)91-60(39(3)4)74(117)94-63(42(7)100)77(120)121)88-73(116)55-18-14-29-95(55)76(119)62(41(6)99)93-67(110)48(23-25-56(80)102)85-71(114)53(36-96)89-65(108)47(17-12-13-28-78)84-66(109)49(24-26-59(105)106)86-72(115)54(37-97)90-75(118)61(40(5)98)92-68(111)50(27-30-122-8)87-69(112)52(33-43-15-10-9-11-16-43)83-58(104)35-81-57(103)34-82-64(107)46(79)32-44-19-21-45(101)22-20-44/h9-11,15-16,19-22,38-42,46-55,60-63,96-101H,12-14,17-18,23-37,78-79H2,1-8H3,(H2,80,102)(H,81,103)(H,82,107)(H,83,104)(H,84,109)(H,85,114)(H,86,115)(H,87,112)(H,88,116)(H,89,108)(H,90,118)(H,91,113)(H,92,111)(H,93,110)(H,94,117)(H,105,106)(H,120,121)
(3) InChIKey: NXSIJWJXMWBCBX-UHFFFAOYSA-N