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Tyr-somatostatin-28

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Name

Tyr-somatostatin-28

EINECS N/A
CAS No. 86649-84-5 Density N/A
PSA 1442.04000 LogP 1.02770
Solubility N/A Melting Point N/A
Formula C146H216N42O41S3 Boiling Point N/A
Molecular Weight 3311.73 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 86649-84-5 (Tyr-somatostatin-28) Hazard Symbols N/A
Synonyms

Somatostatin-28(sheep), N-L-tyrosyl- (9CI);

 

Tyr-somatostatin-28 Specification

The Tyr-somatostatin-28, with the CAS registry number of 86649-84-5, is also known as Somatostatin-28(sheep), N-L-tyrosyl- (9CI). It belongs to the product categories of Peptides and Proteins; Peptides for Cell Biology; Somatostatins; Peptide. This chemical's molecular formula is C146H216N42O41S3 and molecular weight is 3311.73. Besides, it should be stored at -20 °C.

Physical properties about Tyr-somatostatin-28 are: (1)XLogP3-AA -14.2; (2)H-Bond Donor: 48; (3)H-Bond Acceptor: 51; (4)Rotatable Bond Count: 82; (5)Tautomer Count: 1000; (6)Exact Mass: 3356.819112; (7)MonoIsotopic Mass: 3309.527027; (8)Topological Polar Surface Area: 1440; (9)Heavy Atom Count: 232; (10)Formal Charge: 0; (11)Complexity: 7640; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 30; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C6CCCN6C(=O)C(C)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C7CCCN7C(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(Cc8ccc(cc8)O)N)C(=O)O)CO)C(C)O)Cc9ccccc9)O
(2) InChI: InChI=1/C146H216N42O41S3/c1-74(117(201)161-68-113(198)166-106-72-231-232-73-107(144(228)229)184-136(220)105(71-191)183-141(225)116(79(6)193)186-133(217)98(62-82-33-15-10-16-34-82)179-140(224)115(78(5)192)185-127(211)91(39-21-24-53-149)170-130(214)99(63-84-67-160-88-36-18-17-35-86(84)88)177-129(213)97(61-81-31-13-9-14-32-81)175-128(212)96(60-80-29-11-8-12-30-80)176-131(215)101(65-111(152)196)178-125(209)90(171-137(106)221)38-20-23-52-148)162-121(205)89(37-19-22-51-147)168-123(207)92(40-25-54-158-145(154)155)169-126(210)94(48-49-114(199)200)172-124(208)93(41-26-55-159-146(156)157)173-139(223)109-43-27-56-187(109)142(226)77(4)165-122(206)95(50-58-230-7)167-118(202)76(3)164-138(222)108-42-28-57-188(108)143(227)102(66-112(153)197)180-135(219)104(70-190)182-132(216)100(64-110(151)195)174-119(203)75(2)163-134(218)103(69-189)181-120(204)87(150)59-83-44-46-85(194)47-45-83/h8-18,29-36,44-47,67,74-79,87,89-109,115-116,160,189-194H,19-28,37-43,48-66,68-73,147-150H2,1-7H3,(H2,151,195)(H2,152,196)(H2,153,197)(H,161,201)(H,162,205)(H,163,218)(H,164,222)(H,165,206)(H,166,198)(H,167,202)(H,168,207)(H,169,210)(H,170,214)(H,171,221)(H,172,208)(H,173,223)(H,174,203)(H,175,212)(H,176,215)(H,177,213)(H,178,209)(H,179,224)(H,180,219)(H,181,204)(H,182,216)(H,183,225)(H,184,220)(H,185,211)(H,186,217)(H,199,200)(H,228,229)(H4,154,155,158)(H4,156,157,159)
(3) InChIKey: ZIWSGMLADZIGQA-UHFFFAOYAX

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