(MET)(ARG)(LYS)(GLU)(PHE)(HIS)(ASN)(VAL)(LEU)(SER)(SER)(GLY)(GLN)(LEU)(LEU)(ALA)(ASP)(LYS)(ARG)(PRO)(ALA)(ARG)(ASP)(TYR)(ASN)(ARG)(LYS)

CAS号
CCD编号
CCD00738993
分子式
C139 H229 N47 O40 S
分子量
3230.69

基本信息

产品名称: (MET)(ARG)(LYS)(GLU)(PHE)(HIS)(ASN)(VAL)(LEU)(SER)(SER)(GLY)(GLN)(LEU)(LEU)(ALA)(ASP)(LYS)(ARG)(PRO)(ALA)(ARG)(ASP)(TYR)(ASN)(ARG)(LYS)
英文同义词: PEP-27 ; (MET)(ARG)(LYS)(GLU)(PHE)(HIS)(ASN)(VAL)(LEU)(SER)(SER)(GLY)(GLN)(LEU)(LEU)(ALA)(ASP)(LYS)(ARG)(PRO)(ALA)(ARG)(ASP)(TYR)(ASN)(ARG)(LYS) ; MRKEFHNVLSSGQLLADKRPARDYNRK
MDL号: MFCD09264692
氢键受体数量: 87
氢键供体数量: 52
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)N
InChi: InChI=1S/C139H229N47O40S/c1-69(2)54-89(121(211)162-73(9)111(201)173-97(62-107(196)197)128(218)168-81(29-16-19-46-141)116(206)171-87(34-24-51-159-139(153)154)134(224)186-52-25-35-101(186)132(222)163-74(10)110(200)165-82(31-21-48-156-136(147)148)118(208)181-98(63-108(198)199)129(219)177-93(58-76-36-38-78(189)39-37-76)125(215)179-95(60-103(145)191)127(217)169-84(33-23-50-158-138(151)152)117(207)172-88(135(225)226)30-17-20-47-142)175-122(212)90(55-70(3)4)174-119(209)85(40-42-102(144)190)164-105(193)65-160-113(203)99(66-187)183-131(221)100(67-188)184-123(213)91(56-71(5)6)182-133(223)109(72(7)8)185-130(220)96(61-104(146)192)180-126(216)94(59-77-64-155-68-161-77)178-124(214)92(57-75-26-13-12-14-27-75)176-120(210)86(41-43-106(194)195)170-114(204)80(28-15-18-45-140)167-115(205)83(32-22-49-157-137(149)150)166-112(202)79(143)44-53-227-11/h12-14,26-27,36-39,64,68-74,79-101,109,187-189H,15-25,28-35,40-63,65-67,140-143H2,1-11H3,(H2,144,190)(H2,145,191)(H2,146,192)(H,155,161)(H,160,203)(H,162,211)(H,163,222)(H,164,193)(H,165,200)(H,166,202)(H,167,205)(H,168,218)(H,169,217)(H,170,204)(H,171,206)(H,172,207)(H,173,201)(H,174,209)(H,175,212)(H,176,210)(H,177,219)(H,178,214)(H,179,215)(H,180,216)(H,181,208)(H,182,223)(H,183,221)(H,184,213)(H,185,220)(H,194,195)(H,196,197)(H,198,199)(H,225,226)(H4,147,148,156)(H4,149,150,157)(H4,151,152,158)(H4,153,154,159)/t73-,74-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,109-/m0/s1
InChiKey: InChIKey=KAOCBQZUKADRIS-MUBGYAHKSA-N

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