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CAS No. 108334-68-5 Density 1.4 g/cm3
PSA 602.34000 LogP 2.04760
Solubility 1% acetic acid: 1 mg/mL, clear, colorless Melting Point N/A
Formula C68H122N20O18 Boiling Point N/A
Molecular Weight 1507.83 Flash Point N/A
Transport Information N/A Appearance Lyophilized solid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 108334-68-5 (SYNTIDE 2) Hazard Symbols N/A

1090: PN:US20090175821 SEQID: 1364 claimed protein;133: PN: US20030119021 SEQID: 131unclaimed sequence;1: PN: US20050107386 SEQID: 1 unclaimed sequence;1: PN:US20060246418 SEQID: 1 unclaimed sequence;1: PN: WO2004087152 PAGE: 14 unclaimedsequence;27: PN: WO0224947 SEQID: 27 unclaimed sequence;2: PN: US20050148643SEQID: 2 unclaimed sequence;2: PN: US20080255244 PAGE: 10 unclaimed sequence;2: PN: US20090258814 SEQID: 2 unclaimed sequence;30: PN: US20050221385 PAGE:17 claimed protein;5: PN: WO2005070180 SEQID: 15 unclaimed sequence;63: PN:WO0069900 SEQID: 1364 unclaimed sequence;8: PN: US20070191591 SEQID: 8 claimedsequence;Syntide 2;


Syntide-2 Specification

This chemical is called Syntide-2, and its systematic name is L-prolyl-L-leucyl-L-alanyl-N5-(diaminomethylidene)-L-ornithyl-L-threonyl-L-leucyl-L-seryl-L-valyl-L-alanylglycyl-L-leucyl-L-prolylglycyl-L-lysyl-L-lysine. With the molecular formula of C68H122N20O18, its molecular weight is 1507.83. The CAS registry number of this chemical is 108334-68-5.

Other characteristics of the Syntide-2 can be summarised as followings: (1)ACD/LogP: -1.17; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -6.67; (4)ACD/LogD (pH 7.4): -6.63; (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: 38; (10)#H bond donors: 25; (11)#Freely Rotating Bonds: 53; (12)Polar Surface Area: 357.66 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 381.59 cm3; (15)Molar Volume: 1072.6 cm3; (16)Polarizability: 151.27×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.4 g/cm3.

You can still convert the following datas into molecular structure: 
1.InChI: InChI=1/C68H122N20O18/c1-35(2)29-46(83-57(95)42-21-16-26-73-42)60(98)77-40(10)56(94)81-44(22-17-27-74-68(71)72)59(97)87-54(41(11)90)65(103)84-47(30-36(3)4)61(99)85-49(34-89)62(100)86-53(38(7)8)64(102)78-39(9)55(93)75-32-52(92)80-48(31-37(5)6)66(104)88-28-18-23-50(88)63(101)76-33-51(91)79-43(19-12-14-24-69)58(96)82-45(67(105)106)20-13-15-25-70/h35-50,53-54,73,89-90H,12-34,69-70H2,1-11H3,(H,75,93)(H,76,101)(H,77,98)(H,78,102)(H,79,91)(H,80,92)(H,81,94)(H,82,96)(H,83,95)(H,84,103)(H,85,99)(H,86,100)(H,87,97)(H,105,106)(H4,71,72,74)/t39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
2.Smiles: C([C@@H](NC([C@@H](NC(CNC([C@H]1N(CCC1)C([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1NCCC1)=O)CC(C)C)=O)C)=O)CCCNC(=N)N)=O)[C@@H](C)O)=O)CC(C)C)=O)CO)=O)C(C)C)=O)C)=O)=O)CC(C)C)=O)=O)=O)CCCCN)=O)CCCCN)(=O)O

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