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67810-56-4

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Basic Information
CAS No.: 67810-56-4
Name: GLY-GLY-PHE-MET-THR-SER-GLU-LYS-SER-GLN-THR-PRO-LEU-VAL-THR-LEU
Molecular Structure:
Molecular Structure of 67810-56-4 (GLY-GLY-PHE-MET-THR-SER-GLU-LYS-SER-GLN-THR-PRO-LEU-VAL-THR-LEU)
Formula: C74H122N18O25S
Molecular Weight: 1695.93
Synonyms: a-Endorphin (sheep),1-de-L-tyrosine-16a-L-leucine-;179: PN: WO0069900 SEQID: 845 unclaimedsequence;2-17-Human b-endorphin;682: PN: US20090175821 SEQID: 845 claimed protein;Des-1-tyrosine g-endorphin;Des-Tyr1-g-endorphin;Human b-endorphin-2-17;
Density: 1.319 g/cm3
Boiling Point: 2014.8 °C at 760 mmHg
Flash Point: 1172.3 °C
PSA: 723.89000
LogP: -0.91900
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Specification

The CAS register number of 2-16-a-Endorphin (sheep),16a-L-leucine- is 67810-56-4. It also can be called as a-Endorphin (sheep),1-de-L-tyrosine-16a-L-leucine- and the systematic name about this chemical is glycylglycyl-L-phenylalanyl-L-methionyl-L-threonyl-L-seryl-L-alpha-glutamyl-L-lysyl-L-seryl-L-glutaminyl-L-threonyl-L-prolyl-L-leucyl-L-valyl-L-threonyl-L-leucine. The molecular formula about this chemical is C74H122N18O25S and the molecular weight is 1695.93.

Physical properties about 2-16-a-Endorphin (sheep),16a-L-leucine- are: (1)ACD/LogP: -1.57; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.1; (4)ACD/LogD (pH 7.4): -4.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 43; (10)#H bond donors: 27; (11)#Freely Rotating Bonds: 62; (12)Polar Surface Area: 455.49 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 422.24 cm3; (15)Molar Volume: 1285.4 cm3; (16)Polarizability: 167.39x10-24cm3; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 1172.3 °C; (20)Enthalpy of Vaporization: 352.1 kJ/mol; (21)Boiling Point: 2014.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)Cc 1ccccc1)CCSC)[C@H](O)C)CO)CCC(=O)O)CCCCN)CO)CCC(=O)N)[C@H](O)C)CCC2)CC(C)C)C(C)C)[C@H](O)C)CC(C)C
(2)InChI: InChI=1/C74H122N18O25S/c1-36(2)29-47(66(108)88-57(38(5)6)70(112)90-59(40(8)96)71(113)85-49(74(116)117)30-37(3)4)84-69(111)52-20-16-27-92(52)73(115)60(41(9)97)91-63(105)44(21-23-53(77)98)81-67(109)50(34-93)86-61(103)43(19-14-15-26-75)80-62(104)45(22-24-56(101)102)82-68(110)51(35-94)87-72(114)58(39(7)95)89-64(106)46(25-28-118-10)83-65(107)48(31-42-17-12-11-13-18-42)79-55(100)33-78-54(99)32-76/h11-13,17-18,36-41,43-52,57-60,93-97H,14-16,19-35,75-76H2,1-10H3,(H2,77,98)(H,78,99)(H,79,100)(H,80,104)(H,81,109)(H,82,110)(H,83,107)(H,84,111)(H,85,113)(H,86,103)(H,87,114)(H,88,108)(H,89,106)(H,90,112)(H,91,105)(H,101,102)(H,116,117)/t39-,40-,41-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,57+,58+,59+,60+/m1/s1
(3)InChIKey: YQEWLSJJOSZFHG-DSFKZNPVBG
(4)Std. InChI: InChI=1S/C74H122N18O25S/c1-36(2)29-47(66(108)88-57(38(5)6)70(112)90-59(40(8)96)71(113)85-49(74(116)117)30-37(3)4)84-69(111)52-20-16-27-92(52)73(115)60(41(9)97)91-63(105)44(21-23-53(77)98)81-67(109)50(34-93)86-61(103)43(19-14-15-26-75)80-62(104)45(22-24-56(101)102)82-68(110)51(35-94)87-72(114)58(39(7)95)89-64(106)46(25-28-118-10)83-65(107)48(31-42-17-12-11-13-18-42)79-55(100)33-78-54(99)32-76/h11-13,17-18,36-41,43-52,57-60,93-97H,14-16,19-35,75-76H2,1-10H3,(H2,77,98)(H,78,99)(H,79,100)(H,80,104)(H,81,109)(H,82,110)(H,83,107)(H,84,111)(H,85,113)(H,86,103)(H,87,114)(H,88,108)(H,89,106)(H,90,112)(H,91,105)(H,101,102)(H,116,117)/t39-,40-,41-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,57+,58+,59+,60+/m1/s1
(5)Std. InChIKey: YQEWLSJJOSZFHG-DSFKZNPVSA-N