NEUROPEPTIDE FF

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