3-MERCAPTOPROPIONYL-PHE-CHA-CHA-ARG-LYS-PRO-ASN-ASP-LYS-NH2

CAS号
CCD编号
CCD00357262
分子式
C69 H108 N16 O13 S
分子量
1401.78

基本信息

产品名称: 3-MERCAPTOPROPIONYL-PHE-CHA-CHA-ARG-LYS-PRO-ASN-ASP-LYS-NH2
英文同义词: 3-MERCAPTOPROPIONYL-PHE-CHA-CHA-ARG-LYS-PRO-ASN-ASP-LYS-NH2 ; MPR-F-CHA-CHA-RKPNDK-NH2
MDL号: MFCD03093670
氢键受体数量: 29
氢键供体数量: 16
Smile: Cc1ccc(cc1)CSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CC4CCCCC4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N
InChi: InChI=1S/C69H108N16O13S/c1-43-27-29-47(30-28-43)42-99-36-31-58(87)77-51(37-44-17-5-2-6-18-44)62(92)81-53(39-46-21-9-4-10-22-46)64(94)82-52(38-45-19-7-3-8-20-45)63(93)79-49(25-15-34-76-69(74)75)61(91)80-50(24-12-14-33-71)68(98)85-35-16-26-56(85)67(97)84-54(40-57(72)86)65(95)83-55(41-59(88)89)66(96)78-48(60(73)90)23-11-13-32-70/h2,5-6,17-18,27-30,45-46,48-56H,3-4,7-16,19-26,31-42,70-71H2,1H3,(H2,72,86)(H2,73,90)(H,77,87)(H,78,96)(H,79,93)(H,80,91)(H,81,92)(H,82,94)(H,83,95)(H,84,97)(H,88,89)(H4,74,75,76)/t48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
InChiKey: InChIKey=UMRDIRYXERNRFF-AAIUVNHJSA-N

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