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| CAS No.: | 93755-85-2 |
|---|---|
| Name: | GASTRIN RELEASING PEPTIDE, HUMAN |
| Molecular Structure: | |
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| Formula: | C130H204N38O31S2 |
| Molecular Weight: | 2859.38 |
| Synonyms: | Gastrin-releasingpeptide (pig), 1-L-valine-3-L-leucine-4-L-proline-5-L-alanine-12-L-threonine-;93: PN: US20060293232 PAGE: 15 unclaimed sequence;Human gastrin releasingpeptide (1-27);Human gastrin-releasing peptide;L-Methioninamide,L-valyl-L-prolyl-L-leucyl-L-prolyl-L-alanylglycylglycylglycyl-L-threonyl-L-valyl-L-leucyl-L-threonyl-L-lysyl-L-methionyl-L-tyrosyl-L-prolyl-L-arginylglycyl-L-asparaginyl-L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-;[1-27]-Human gastrin-releasing peptide;Gastrin-Releasing Peptide, human; |
| Density: | 1.46±0.1 g/cm3(Predicted) |
| Solubility: | Insoluble in water |
| PSA: | 0.00000 |
| LogP: | 0.00000 |
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Specification
The Gastrin-releasingpeptide (human) (9Cl), with the CAS registry number 93755-85-2, belongs to the product categories of Peptide, Neuromedins and related. And it should be stored at -20°C. The molecular formula of the chemical is C130H204N38O31S2.
The characteristics of Gastrin-releasingpeptide (human) (9Cl) are as followings: (1)XLogP3-AA -2.2 ; (2)H-Bond Donor 36; (3)H-Bond Acceptor 38; (4)Rotatable Bond Count 86; (5)Tautomer Count 1000; (6)Exact Mass 2892.716378; (7)MonoIsotopic Mass 2857.499613; (8)Topological Polar Surface Area 1110; (9)Heavy Atom Count 201; (10)Formal Charge 0; (11)Complexity 6470; (12)Isotope Atom Count 0; (13)Defined Atom StereoCenter Count 0; (14)Undefined Atom StereoCenter Count 24; (15)Defined Bond StereoCenter Count 0; (16)Undefined Bond StereoCenter Count 0; (17)Covalently-Bonded Unit Count 1.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CNC=N1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CNC=N4)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C5CCCN5C(=O)(CC6=CC=C(C=C6)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C7CCCN7C(=O)C(CC(C)C)NC(=O)C8CCCN8C(=O)C(C(C)C)N
(2)InChI: InChI=1S/C130H204N38O31S2/c1-65(2)47-86(115(185)152-82(108(134)178)38-45-200-17)156-116(186)89(52-77-56-137-63-146-77)150-101(176)62-145-123(193)104(69(9)10)163-110(180)72(14)148-114(184)88(51-76-55-140-81-28-20-19-27-80(76)81)157-117(187)90(53-78-57-138-64-147-78)158-118(188)91(54-97(132)172)151-100(175)61-144-111(181)83(30-23-41-139-130(135)136)154-121(191)95-32-25-43-167(95)128(198)93(50-75-34-36-79(171)37-35-75)160-113(183)85(39-46-201-18)153-112(182)84(29-21-22-40-131)155-125(195)107(74(16)170)165-119(189)87(48-66(3)4)159-124(194)105(70(11)12)164-126(196)106(73(15)169)162-102(177)60-142-98(173)58-141-99(174)59-143-109(179)71(13)149-120(190)94-31-24-42-166(94)127(197)92(49-67(5)6)161-122(192)96-33-26-44-168(96)129(199)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,140,169-171H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,172)(H2,134,178)(H,137,146)(H,138,147)(H,141,174)(H,142,173)(H,143,179)(H,144,181)(H,145,193)(H,148,184)(H,149,190)(H,150,176)(H,151,175)(H,152,185)(H,153,182)(H,154,191)(H,155,195)(H,156,186)(H,157,187)(H,158,188)(H,159,194)(H,160,183)(H,161,192)(H,162,177)(H,163,180)(H,164,196)(H,165,189)(H4,135,136,139)
(3)InChIKey: PUBCCFNQJQKCNC-UHFFFAOYSA-N