H-ASP-PRO-PRO-ASP-PRO-ASP-ARG-PHE-TYR-GLY-MET-MET-NH2 TRIFLUOROACETATE

CAS号
CCD编号
CCD08176851
分子式
C63 H90 N16 O19 S2 . C2 H F3 O2
分子量
1553.65

基本信息

产品名称: H-ASP-PRO-PRO-ASP-PRO-ASP-ARG-PHE-TYR-GLY-MET-MET-NH2 TRIFLUOROACETATE
英文同义词: H-ASP-PRO-PRO-ASP-PRO-ASP-ARG-PHE-TYR-GLY-MET-MET-NH2 TRIFLUOROACETATE ; HYLAMBATIN TRIFLUOROACETATE
MDL号: MFCD03452933
氢键受体数量: 35
氢键供体数量: 17
Smile: CSCC[C@@H](C(=O)N)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)O)N.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C63H90N16O19S2.C2HF3O2/c1-99-26-20-38(52(65)88)71-55(91)40(21-27-100-2)70-48(81)33-69-53(89)41(29-35-16-18-36(80)19-17-35)73-56(92)42(28-34-10-4-3-5-11-34)74-54(90)39(12-6-22-68-63(66)67)72-57(93)43(31-50(84)85)75-58(94)45-13-7-23-77(45)61(97)44(32-51(86)87)76-59(95)46-14-8-24-78(46)62(98)47-15-9-25-79(47)60(96)37(64)30-49(82)83;3-2(4,5)1(6)7/h3-5,10-11,16-19,37-47,80H,6-9,12-15,20-33,64H2,1-2H3,(H2,65,88)(H,69,89)(H,70,81)(H,71,91)(H,72,93)(H,73,92)(H,74,90)(H,75,94)(H,76,95)(H,82,83)(H,84,85)(H,86,87)(H4,66,67,68);(H,6,7)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-;/m0./s1
InChiKey: InChIKey=NQOWOPXDLSRKGJ-KKQUMDDGSA-N

性质

安全信息

WGK德国: 3

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