CAS No.118850-71-8,ANTI-INFLAMMATORY PEPTIDE 1 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118850-71-8
Name:	ANTI-INFLAMMATORY PEPTIDE 1
Article Data:	3
Cas Database

Formula:	C₄₅H₈₂N₁₂O₁₄S₂
Molecular Weight:	1079.35
Synonyms:	L-Serine,N-[N-[N-[N-[N2-[N2-[N-(N2-L-methionyl-L-glutaminyl)-L-methionyl]-L-lysyl]-L-lysyl]-L-valyl]-L-leucyl]-L-a-aspartyl]-;16: PN: WO0062795PAGE: 35 unclaimed sequence;1: PN: WO2009033718 PAGE: 102 claimed protein;2:PN: WO2006031117 SEQID: 8 unclaimed sequence;65: PN: WO2008058016 SEQID: 65claimed protein;Antiflammin 1;Antiflammin P 1;
Density:	1.27 g/cm³
Boiling Point:	1490.7 °C at 760 mmHg
Flash Point:	855.4 °C
PSA:	499.38000
LogP:	2.40390

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Specification

The L-Serine,L-methionyl-L-glutaminyl-L-methionyl-L-lysyl-L-lysyl-L-valyl-L-leucyl-L-a-aspartyl-, with its CAS registry number 118850-71-8, has the Systematic name of L-methionyl-L-glutaminylmethionyl-L-lysyllysyl-L-valylleucyl-L-alpha-aspartyl-L-serine. With its molecular foumula of C₄₅H₈₂N₁₂O₁₄S₂, it has the formula weight of 1079.33. Besides, you should keep it in the storage temp. of -20°C.

The characteristics of L-Serine,L-methionyl-L-glutaminyl-L-methionyl-L-lysyl-L-lysyl-L-valyl-L-leucyl-L-a-aspartyl- are as follows: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -5.04; (4)ACD/LogD (pH 7.4): -3.93; (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: 26; (10)#H bond donors: 19; (11)#Freely Rotating Bonds: 44; (12)Polar Surface Area: 304.94 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 273.89 cm³; (15)Molar Volume: 849.4 cm³; (16)Polarizability: 108.58×10^-24cm³; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 855.4 °C; (20)Enthalpy of Vaporization: 257.55 kJ/mol; (21)Boiling Point: 1490.7 °C at 760 mmHg.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)O)CC(C)C)C(C)C)CCCCN)CCCCN)CCSC)[C@@H](NC(=O)[C@@H](N)CCSC)CCC(=O)N
(2)InChI:InChI=1/C45H82N12O14S2/c1-24(2)21-31(42(67)54-32(22-35(60)61)43(68)56-33(23-58)45(70)71)55-44(69)36(25(3)4)57-41(66)28(12-8-10-18-47)52-38(63)27(11-7-9-17-46)51-40(65)30(16-20-73-6)53-39(64)29(13-14-34(49)59)50-37(62)26(48)15-19-72-5/h24-33,36,58H,7-23,46-48H2,1-6H3,(H2,49,59)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,54,67)(H,55,69)(H,56,68)(H,57,66)(H,60,61)(H,70,71)/t26-,27-,28?,29-,30?,31?,32-,33-,36-/m0/s1
(3)InChIKey:XVZUZGWPOCVGGZ-VYAJKLLMBX