GLNALKKVFQGIHEAIKLINNHVQ

CAS号
CCD编号
CCD01390201
分子式
C122 H202 N36 O32
分子量
2685.16

基本信息

产品名称: GLNALKKVFQGIHEAIKLINNHVQ
英文同义词: H-GLY-LEU-ASN-ALA-LEU-LYS-LYS-VAL-PHE-GLN-GLY-ILE-HIS-GLU-ALA-ILE-LYS-LEU-ILE-ASN-ASN-HIS-VAL-GLN-OH ; PSEUDIN-2 ; GLNALKKVFQGIHEAIKLINNHVQ
MDL号: MFCD11975009
氢键受体数量: 68
氢键供体数量: 36
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CN
InChi: InChI=1S/C122H202N36O32/c1-19-65(14)98(154-94(165)57-134-103(170)76(36-39-88(127)159)142-111(178)82(48-70-31-23-22-24-32-70)151-118(185)97(64(12)13)155-107(174)75(35-27-30-44-125)140-105(172)73(33-25-28-42-123)141-110(177)80(46-61(6)7)146-101(168)68(17)138-108(175)85(51-90(129)161)149-109(176)79(45-60(4)5)139-93(164)54-126)119(186)152-83(49-71-55-132-58-135-71)112(179)143-77(38-41-95(166)167)104(171)137-69(18)102(169)157-99(66(15)20-2)120(187)144-74(34-26-29-43-124)106(173)147-81(47-62(8)9)115(182)158-100(67(16)21-3)121(188)153-87(53-92(131)163)114(181)150-86(52-91(130)162)113(180)148-84(50-72-56-133-59-136-72)116(183)156-96(63(10)11)117(184)145-78(122(189)190)37-40-89(128)160/h22-24,31-32,55-56,58-69,73-87,96-100H,19-21,25-30,33-54,57,123-126H2,1-18H3,(H2,127,159)(H2,128,160)(H2,129,161)(H2,130,162)(H2,131,163)(H,132,135)(H,133,136)(H,134,170)(H,137,171)(H,138,175)(H,139,164)(H,140,172)(H,141,177)(H,142,178)(H,143,179)(H,144,187)(H,145,184)(H,146,168)(H,147,173)(H,148,180)(H,149,176)(H,150,181)(H,151,185)(H,152,186)(H,153,188)(H,154,165)(H,155,174)(H,156,183)(H,157,169)(H,158,182)(H,166,167)(H,189,190)/t65-,66-,67-,68-,69-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,96-,97-,98-,99-,100-/m0/s1
InChiKey: InChIKey=ZPMUCAJJGYDHGH-LPZBDFLVSA-N

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