GLY-GLU-ASN-PRO-THR-TRP-LYS-GLN-TRP-ARG-ARG-ASP-ASN-ARG-ARG-GLY-LEU-ARG-MET-TYR

CAS号
CCD编号
CCD00118469
分子式
C113 H175 N41 O30 S
分子量
2619.95

基本信息

产品名称: GLY-GLU-ASN-PRO-THR-TRP-LYS-GLN-TRP-ARG-ARG-ASP-ASN-ARG-ARG-GLY-LEU-ARG-MET-TYR
英文同义词: VIF (163-181)-[TYR] ; GLY-GLU-ASN-PRO-THR-TRP-LYS-GLN-TRP-ARG-ARG-ASP-ASN-ARG-ARG-GLY-LEU-ARG-MET-TYR
MDL号: MFCD00273768
氢键受体数量: 71
氢键供体数量: 45
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CN
InChi: InChI=1S/C113H175N41O30S/c1-56(2)45-75(100(175)142-70(25-14-41-132-112(125)126)95(170)146-74(36-44-185-4)99(174)152-81(108(183)184)46-58-28-30-61(156)31-29-58)138-87(161)55-136-91(166)66(22-11-38-129-109(119)120)139-93(168)68(23-12-39-130-110(121)122)144-103(178)78(49-84(117)158)148-104(179)79(51-89(164)165)149-96(171)71(26-15-42-133-113(127)128)140-94(169)69(24-13-40-131-111(123)124)143-101(176)76(47-59-53-134-64-19-7-5-17-62(59)64)147-98(173)73(32-34-83(116)157)145-92(167)67(21-9-10-37-114)141-102(177)77(48-60-54-135-65-20-8-6-18-63(60)65)150-106(181)90(57(3)155)153-105(180)82-27-16-43-154(82)107(182)80(50-85(118)159)151-97(172)72(33-35-88(162)163)137-86(160)52-115/h5-8,17-20,28-31,53-54,56-57,66-82,90,134-135,155-156H,9-16,21-27,32-52,55,114-115H2,1-4H3,(H2,116,157)(H2,117,158)(H2,118,159)(H,136,166)(H,137,160)(H,138,161)(H,139,168)(H,140,169)(H,141,177)(H,142,175)(H,143,176)(H,144,178)(H,145,167)(H,146,170)(H,147,173)(H,148,179)(H,149,171)(H,150,181)(H,151,172)(H,152,174)(H,153,180)(H,162,163)(H,164,165)(H,183,184)(H4,119,120,129)(H4,121,122,130)(H4,123,124,131)(H4,125,126,132)(H4,127,128,133)/t57-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,90+/m1/s1
InChiKey: InChIKey=SMXNOVOOVPWUTQ-VRQBHHFTSA-N

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