GP120-W61D-109

CAS号
CCD编号
CCD00416215
分子式
C68 H112 N20 O18 S2
分子量
1561.89

基本信息

产品名称: GP120-W61D-109
英文同义词: GP120-W61D-109 ; GKAMYAPPIGGQIRC ; H-GLY-LYS-ALA-MET-TYR-ALA-PRO-PRO-ILE-GLY-GLY-GLN-ILE-ARG-CYS-OH
MDL号: MFCD03790146
氢键受体数量: 38
氢键供体数量: 20
Smile: CC[C@H](C)[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CN
InChi: InChI=1S/C68H112N20O18S2/c1-8-36(3)54(63(101)76-33-52(92)75-34-53(93)80-44(23-24-50(71)90)60(98)85-55(37(4)9-2)64(102)82-43(16-12-27-74-68(72)73)58(96)84-47(35-107)67(105)106)86-62(100)48-17-13-28-87(48)66(104)49-18-14-29-88(49)65(103)39(6)78-61(99)46(31-40-19-21-41(89)22-20-40)83-59(97)45(25-30-108-7)81-56(94)38(5)77-57(95)42(15-10-11-26-69)79-51(91)32-70/h19-22,36-39,42-49,54-55,89,107H,8-18,23-35,69-70H2,1-7H3,(H2,71,90)(H,75,92)(H,76,101)(H,77,95)(H,78,99)(H,79,91)(H,80,93)(H,81,94)(H,82,102)(H,83,97)(H,84,96)(H,85,98)(H,86,100)(H,105,106)(H4,72,73,74)/t36-,37-,38-,39-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-/m0/s1
InChiKey: InChIKey=CAWPVRBIRMUJCL-UFJGWSPGSA-N

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