H-HIS-ALA-ASP-GLY-VAL-PHE-THR-SER-ASP-PHE-SER-LYS-LEU-LEU-GLY-GLN-LEU-SER-ALA-LYS-LYS-TYR-LEU-GLU-SER-LEU-MET-NH2 TRIFLUOROACETATE SALT

CAS号
CCD编号
CCD04458514
分子式
C135 H214 N34 O40 S . C2 H F3 O2
分子量
3099.46

基本信息

产品名称: H-HIS-ALA-ASP-GLY-VAL-PHE-THR-SER-ASP-PHE-SER-LYS-LEU-LEU-GLY-GLN-LEU-SER-ALA-LYS-LYS-TYR-LEU-GLU-SER-LEU-MET-NH2 TRIFLUOROACETATE SALT
英文同义词: H-HIS-ALA-ASP-GLY-VAL-PHE-THR-SER-ASP-PHE-SER-LYS-LEU-LEU-GLY-GLN-LEU-SER-ALA-LYS-LYS-TYR-LEU-GLU-SER-LEU-MET-NH2 TRIFLUOROACETATE SALT ; PHM-27 (HUMAN) TRIFLUOROACETATE SALT
MDL号: MFCD18782396
氢键受体数量: 74
氢键供体数量: 42
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)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)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc4c[nH]cn4)N.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C135H214N34O40S.C2HF3O2/c1-68(2)49-89(155-124(198)92(52-71(7)8)156-118(192)86(35-25-28-47-138)152-131(205)100(64-171)166-127(201)94(54-77-29-19-17-20-30-77)161-128(202)98(59-108(183)184)162-133(207)102(66-173)167-135(209)110(76(15)174)169-129(203)96(55-78-31-21-18-22-32-78)163-134(208)109(73(11)12)168-105(178)62-144-116(190)97(58-107(181)182)154-113(187)74(13)146-114(188)82(139)57-80-60-142-67-145-80)115(189)143-61-104(177)148-87(40-42-103(140)176)120(194)157-93(53-72(9)10)125(199)165-99(63-170)130(204)147-75(14)112(186)150-84(33-23-26-45-136)117(191)151-85(34-24-27-46-137)119(193)160-95(56-79-36-38-81(175)39-37-79)126(200)158-91(51-70(5)6)123(197)153-88(41-43-106(179)180)121(195)164-101(65-172)132(206)159-90(50-69(3)4)122(196)149-83(111(141)185)44-48-210-16;3-2(4,5)1(6)7/h17-22,29-32,36-39,60,67-76,82-102,109-110,170-175H,23-28,33-35,40-59,61-66,136-139H2,1-16H3,(H2,140,176)(H2,141,185)(H,142,145)(H,143,189)(H,144,190)(H,146,188)(H,147,204)(H,148,177)(H,149,196)(H,150,186)(H,151,191)(H,152,205)(H,153,197)(H,154,187)(H,155,198)(H,156,192)(H,157,194)(H,158,200)(H,159,206)(H,160,193)(H,161,202)(H,162,207)(H,163,208)(H,164,195)(H,165,199)(H,166,201)(H,167,209)(H,168,178)(H,169,203)(H,179,180)(H,181,182)(H,183,184);(H,6,7)/t74-,75-,76+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,109-,110-;/m0./s1
InChiKey: InChIKey=FNXNVKRVSQDFAH-GJITVHRPSA-N

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