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Leucomyosuppressin(9CI)

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Name

Leucomyosuppressin(9CI)

EINECS N/A
CAS No. 106884-19-9 Density 1.44 g/cm3
PSA 499.27000 LogP 2.87360
Solubility N/A Melting Point N/A
Formula C59H84N16O15 Boiling Point N/A
Molecular Weight 1257.41 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 106884-19-9 (leucomyosuppressin) Hazard Symbols N/A
Synonyms

p-Glu-asp-val-asp-his-val-phe-leu-arg-phe-NH2;

 

Leucomyosuppressin(9CI) 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

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