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106884-19-9

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Basic Information
CAS No.: 106884-19-9
Name: leucomyosuppressin
Molecular Structure:
Molecular Structure of 106884-19-9 (leucomyosuppressin)
Formula: C59H84N16O15
Molecular Weight: 1257.41
Synonyms: p-Glu-asp-val-asp-his-val-phe-leu-arg-phe-NH2;
Density: 1.44 g/cm3
PSA: 499.27000
LogP: 2.87360
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Specification

The Leucomyosuppressin(9CI), with the CAS registry number of 106884-19-9, is also known as p-Glu-asp-val-asp-his-val-phe-leu-arg-phe-NH2. We can get it from head extracts of the cockroach Leucophaea maderae, it can inhibit evoked transmitter release at the mealworm neuromuscular junction. This chemical's molecular formula is C59H84N16O15 and molecular weight is 1257.41. What's more, its IUPAC name is (3S)-4-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-Amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxo-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid.

Physical properties about the Leucomyosuppressin(9CI) are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 31; (4)#H bond donors: 19; (5)#Freely Rotating Bonds: 37; (6)Polar Surface Area: 312.67 Å2; (7)Index of Refraction: 1.662; (8)Molar Refractivity: 321.39 cm3; (9)Molar Volume: 868.2 cm3; (10)Surface Tension: 61.5 dyne/cm; (11)Density: 1.44 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)[C@H](NC(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC(=O)O)C(C)C)CC(=O)O)Cc2cncn2)C(C)C)Cc3ccccc3)CC(C)C)CCC/N=C(\N)N)Cc4ccc cc4
(2) InChI: InChI=1/C59H84N16O15/c1-30(2)22-39(52(84)67-36(18-13-21-64-59(61)62)50(82)68-38(49(60)81)23-33-14-9-7-10-15-33)69-53(85)40(24-34-16-11-8-12-17-34)72-57(89)47(31(3)4)74-55(87)41(25-35-28-63-29-65-35)70-54(86)42(26-45(77)78)73-58(90)48(32(5)6)75-56(88)43(27-46(79)80)71-51(83)37-19-20-44(76)66-37/h7-12,14-17,28-32,36-43,47-48H,13,18-27H2,1-6H3,(H2,60,81)(H,63,65)(H,66,76)(H,67,84)(H,68,82)(H,69,85)(H,70,86)(H,71,83)(H,72,89)(H,73,90)(H,74,87)(H,75,88)(H,77,78)(H,79,80)(H4,61,62,64)/t36?,37-,38+,39+,40-,41?,42-,43-,47-,48-/m0/s1
(3) InChIKey: RFZUUYLDHNDZQI-XOHVDFTBBG