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89105-94-2

Basic Information
CAS No.: 89105-94-2
Name: HIS-HIS-LEU-GLY-GLY-ALA-LYS-GLN-ALA-GLY-ASP-VAL
Molecular Structure:
Molecular Structure of 89105-94-2 (HIS-HIS-LEU-GLY-GLY-ALA-LYS-GLN-ALA-GLY-ASP-VAL)
Formula: C50H80N18O16
Molecular Weight: 1189.28
Synonyms: L-Valine,N-[N-[N-[N-[N2-[N2-[N-[N-[N-[N-(N-L-histidyl-L-histidyl)-L-leucyl]glycyl]glycyl]-L-alanyl]-L-lysyl]-L-glutaminyl]-L-alanyl]glycyl]-L-a-aspartyl]-;Fibrinogen g-chain fragment analog;Fibrinogen-binding inhibitor peptide;Human fibrinogen g-400-411 peptide;10: PN: JP2002320666SEQID: 10 claimed protein;125: PN: WO2008058016 SEQID: 126 claimed protein;126: PN: US20030225251 SEQID: 134 claimed sequence;15: PN: US20070065361SEQID: 16 unclaimed sequence;16: PN: US20040191249 SEQID: 16 claimed sequence;1: PN: US7049140 SEQID: 1 claimed protein;1: PN: WO2004069862 SEQID: 1unclaimed sequence;24: PN: WO2004069875 PAGE: 69 claimed sequence;29: PN:US7521540 SEQID: 29 unclaimed sequence;29: PN: WO0155210 SEQID: 29 unclaimedsequence;32: PN: US6790606 SEQID: 29 unclaimed sequence;3: PN: WO02072619PAGE: 8 unclaimed sequence;4: PN: WO2004058305 PAGE: 39 claimed protein;4:PN: WO2005035002 PAGE: 8 unclaimed sequence;6: PN: WO0066182 SEQID: 1 claimedprotein;7: PN: US20060046271 SEQID: 19 unclaimed sequence;
Density: 1.342g/cm3
Boiling Point: 1809.886 °C at 760 mmHg
Flash Point: 1048.381 °C
PSA: 547.19000
LogP: -0.43120
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Specification

The L-Valine,L-histidyl-L-histidyl-L-leucylglycylglycyl-L-alanyl-L-lysyl-L-glutaminyl-L-alanylglycyl-L-a-aspartyl-, with CAS registry number 89105-94-2, has the systematic name of L-histidyl-L-histidyl-L-leucylglycylglycyl-L-alanyl-L-lysyl-L-glutaminyl-L-alanylglycyl-L-alpha-aspartyl-L-valine. This chemical belongs to the following product category: Peptide. This chemical should be stored at the temperature of −20°C.

Physical properties of L-Valine,L-histidyl-L-histidyl-L-leucylglycylglycyl-L-alanyl-L-lysyl-L-glutaminyl-L-alanylglycyl-L-a-aspartyl-: (1)ACD/LogP: -5.16; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 34; (4)#H bond donors: 21; (5)#Freely Rotating Bonds: 41; (6)Polar Surface Area: 547.19 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 293.098 cm3; (9)Molar Volume: 886.168 cm3; (10)Polarizability: 116.193×10-24cm3; (11)Surface Tension: 63.821 dyne/cm; (12)Density: 1.342 g/cm3; (13)Flash Point: 1048.381 °C; (14)Enthalpy of Vaporization: 306.104 kJ/mol; (15)Boiling Point: 1809.886 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cncn1)Cc2cncn2)CC(C)C)C)CCCCN)CCC(=O)N)C)CC(=O)O)C(C)C
(2)InChI: InChI=1/C50H80N18O16/c1-24(2)13-33(67-48(81)34(15-29-18-55-23-60-29)66-44(77)30(52)14-28-17-54-22-59-28)45(78)58-19-37(70)56-20-38(71)61-27(6)43(76)64-31(9-7-8-12-51)47(80)65-32(10-11-36(53)69)46(79)62-26(5)42(75)57-21-39(72)63-35(16-40(73)74)49(82)68-41(25(3)4)50(83)84/h17-18,22-27,30-35,41H,7-16,19-21,51-52H2,1-6H3,(H2,53,69)(H,54,59)(H,55,60)(H,56,70)(H,57,75)(H,58,78)(H,61,71)(H,62,79)(H,63,72)(H,64,76)(H,65,80)(H,66,77)(H,67,81)(H,68,82)(H,73,74)(H,83,84)/t26-,27-,30-,31-,32-,33-,34-,35-,41-/m0/s1
(3)InChIKey: STSKWZSBFZRSGP-GYDGUXFEBM
(4)Std. InChI: InChI=1S/C50H80N18O16/c1-24(2)13-33(67-48(81)34(15-29-18-55-23-60-29)66-44(77)30(52)14-28-17-54-22-59-28)45(78)58-19-37(70)56-20-38(71)61-27(6)43(76)64-31(9-7-8-12-51)47(80)65-32(10-11-36(53)69)46(79)62-26(5)42(75)57-21-39(72)63-35(16-40(73)74)49(82)68-41(25(3)4)50(83)84/h17-18,22-27,30-35,41H,7-16,19-21,51-52H2,1-6H3,(H2,53,69)(H,54,59)(H,55,60)(H,56,70)(H,57,75)(H,58,78)(H,61,71)(H,62,79)(H,63,72)(H,64,76)(H,65,80)(H,66,77)(H,67,81)(H,68,82)(H,73,74)(H,83,84)/t26-,27-,30-,31-,32-,33-,34-,35-,41-/m0/s1
(5)Std. InChIKey: STSKWZSBFZRSGP-GYDGUXFESA-N