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CAS No.: | 99566-27-5 |
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Name: | NEUROPEPTIDE FF |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C54H76N14O10 |
Molecular Weight: | 1081.29 |
Synonyms: | NeuropeptideFF (ox);59: PN: WO0131005 SEQID: 59 claimed protein;5: PN: WO0114883 SEQID: 6claimed protein;F8F-amide;L-Phenylalaninamide,L-phenylalanyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-arginyl-;Neuropeptide FF;Neuropeptide FF (human);Neuropeptide FF (mouse);NeuropeptideFF (rat); |
Density: | 1.38 g/cm3 |
Solubility: | Soluble to 0.50 mg/ml in water. |
PSA: | 412.10000 |
LogP: | 4.54270 |
The Neuropeptide FF(cattle) (9CI), with the CAS registry number 99566-27-5, is also known as Morphine modulating neuropeptide. It belongs to the product category of Peptide. This chemical's molecular formula is C54H76N14O10 and molecular weight is 1081.27. Its IUPAC name is called (2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide. This chemical's classification codes are Central Nervous System Agents; Narcotic antagonists; Peripheral Nervous System Agents; Sensory System Agents.
Physical properties of Neuropeptide FF(cattle) (9CI): (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): 0; (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: 24; (10)#H bond donors: 18; (11)#Freely Rotating Bonds: 33; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 286.209 cm3; (14)Molar Volume: 779.016 cm3; (15)Surface Tension: 61.015 dyne/cm; (16)Density: 1.388 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCC/N=C(\N)N)CCC(=O)N)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CC(C)C)Cc3ccccc3)CCC(=O)N)CCC4
(2)InChI: InChI=1/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
(3)InChIKey: HWYCFZUSOBOBIN-AQJXLSMYBP