• ChemBase编号: 103998
• 分子式: C138H220N36O50
• 平均质量: 3183.4346
• 单一同位素质量: 3181.57790222
• SMILES: CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O
• Canonical SMILES: OCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)CC(C)C)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CCC(=O)N)CC(C)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CCC(=O)O)C)CCC(=O)O)CC(=O)O)CC(C)C)CCC(=O)N)CCC(=O)N)CCC(=O)O)CC(C)C)C
• InChI: InChI=1S/C138H220N36O50/c1-63(2)46-85(165-122(207)82(35-43-110(195)196)161-136(221)113(70(15)16)172-123(208)78(28-36-96(140)178)154-103(185)59-150-135(220)112(69(13)14)171-124(209)79(29-37-97(141)179)160-127(212)88(49-66(7)8)166-130(215)91(53-111(197)198)169-121(206)81(34-42-109(193)194)157-115(200)72(18)152-120(205)80(33-41-108(191)192)158-117(202)76(139)52-74-24-26-75(177)27-25-74)119(204)147-55-101(183)144-54-100(182)145-60-106(188)173-44-20-22-94(173)133(218)149-56-102(184)151-71(17)114(199)146-57-104(186)155-92(61-175)131(216)167-89(50-67(9)10)128(213)162-83(30-38-98(142)180)137(222)174-45-21-23-95(174)134(219)170-86(47-64(3)4)125(210)153-73(19)116(201)164-87(48-65(5)6)126(211)159-77(32-40-107(189)190)118(203)148-58-105(187)156-93(62-176)132(217)168-90(51-68(11)12)129(214)163-84(138(223)224)31-39-99(143)181/h24-27,63-73,76-95,112-113,175-177H,20-23,28-62,139H2,1-19H3,(H2,140,178)(H2,141,179)(H2,142,180)(H2,143,181)(H,144,183)(H,145,182)(H,146,199)(H,147,204)(H,148,203)(H,149,218)(H,150,220)(H,151,184)(H,152,205)(H,153,210)(H,154,185)(H,155,186)(H,156,187)(H,157,200)(H,158,202)(H,159,211)(H,160,212)(H,161,221)(H,162,213)(H,163,214)(H,164,201)(H,165,207)(H,166,215)(H,167,216)(H,168,217)(H,169,206)(H,170,219)(H,171,209)(H,172,208)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,223,224)
• InChIKey: AKQDHADEEKZZBX-UHFFFAOYSA-N

名称和登记号

名称

• 别名: C-PEPTIDE

登记号

• PubChem SID: 162105833
• PubChem CID: 44134638

理论计算性质

• Acid pKa: 2.8523946
• 质子受体: 51
• 质子供体: 43
• LogD (pH = 5.5): -29.459171
• LogD (pH = 7.4): -37.56256
• Log P: -21.389597
• 摩尔折射率: 770.0051 cm^3
• 极化性: 302.54102 Å^3
• 极化表面积: 1367.39 Å^2
• 可自由旋转的化学键: 105
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: 2-8°C

产品相关信息

• 纯度: >98%

详细说明

MP Biomedicals - 02153909

(Tyr)-Glu-Ala-Glu-Asp-Leu-Gln-Val-Gly-Gln-Val-Glu-Leu-Gly-Gly-Gly-Pro-Gly-Ala-Gly-Ser-Leu-Gln-Pro-Leu-Ala-Leu-Glu-Gly-Ser-Leu-Gln Synthetic Lyophilized Purity: >98% Proinsulin Contamination: 1%