GP38

CAS号
CCD编号
CCD00601549
分子式
C133 H209 N41 O38 S2
分子量
3054.5

基本信息

产品名称: GP38
英文同义词: (ARG)(VAL)(THR)(ALA)(ILE)(GLU)(LYS)(TYR)(LEU)(GLN)(ASP)(GLN)(ALA)(ARG)(LEU)(ASN)(SER)(TRP)(GLY)(CYS)(ALA)(PHE)(ARG)(GLN)(VAL)(CYS) ; H-ARG-VAL-THR-ALA-ILE-GLU-LYS-TYR-LEU-GLN-ASP-GLN-ALA-ARG-LEU-ASN-SER-TRP-GLY-CYS-ALA-PHE-ARG-GLN-VAL-CYS-OH (DISULFIDE BRIDGE: 20-26) ; RVTAIEKYLQDQARLNSWGCAFRQVC (DISULFIDE BRIDGE: 20-26) ; RVTAIEKYLQDQARLNSWGCAFRQVC ; H-ARG-VAL-THR-ALA-ILE-GLU-LYS-TYR-LEU-GLN-ASP-GLN-ALA-ARG-LEU-ASN-SER-TRP-GLY-CYS-ALA-PHE-ARG-GLN-VAL-CYS-OH(CYS20-CYS26) ; GP38 ; H-ARG-VAL-THR-ALA-ILE-GLU-LYS-TYR-LEU-GLN-ASP-GLN-ALA-ARG-LEU-ASN-SER-TRP-GLY-CYS-ALA-PHE-ARG-GLN-VAL-CYS-OH
MDL号: MFCD07771994
氢键受体数量: 79
氢键供体数量: 47
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NCC(=O)N[C@H]4CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)C)Cc5ccccc5)CCCNC(=N)N)CCC(=O)N)C(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)N
InChi: InChI=1S/C133H209N41O38S2/c1-15-66(10)104(173-108(189)69(13)153-129(210)105(70(14)176)174-127(208)103(65(8)9)171-109(190)76(135)29-23-47-146-131(140)141)128(209)161-84(41-45-100(183)184)115(196)156-78(31-21-22-46-134)113(194)165-88(53-72-34-36-74(177)37-35-72)121(202)164-85(50-62(2)3)118(199)160-82(39-43-96(137)179)116(197)168-91(56-101(185)186)123(204)159-81(38-42-95(136)178)111(192)151-67(11)106(187)155-79(32-24-48-147-132(142)143)114(195)163-86(51-63(4)5)119(200)167-90(55-98(139)181)122(203)169-92(59-175)124(205)166-89(54-73-57-149-77-30-20-19-28-75(73)77)110(191)150-58-99(182)154-93-60-213-214-61-94(130(211)212)170-126(207)102(64(6)7)172-117(198)83(40-44-97(138)180)158-112(193)80(33-25-49-148-133(144)145)157-120(201)87(52-71-26-17-16-18-27-71)162-107(188)68(12)152-125(93)206/h16-20,26-28,30,34-37,57,62-70,76,78-94,102-105,149,175-177H,15,21-25,29,31-33,38-56,58-61,134-135H2,1-14H3,(H2,136,178)(H2,137,179)(H2,138,180)(H2,139,181)(H,150,191)(H,151,192)(H,152,206)(H,153,210)(H,154,182)(H,155,187)(H,156,196)(H,157,201)(H,158,193)(H,159,204)(H,160,199)(H,161,209)(H,162,188)(H,163,195)(H,164,202)(H,165,194)(H,166,205)(H,167,200)(H,168,197)(H,169,203)(H,170,207)(H,171,190)(H,172,198)(H,173,189)(H,174,208)(H,183,184)(H,185,186)(H,211,212)(H4,140,141,146)(H4,142,143,147)(H4,144,145,148)/t66-,67-,68-,69-,70+,76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-/m0/s1
InChiKey: InChIKey=FFUXHBSNXXCMHU-QXKQVJRJSA-N

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