H-LYS-GLU-THR-TRP-TRP-TRP-GLU-THR-TRP-TRP-TRP-THR-GLU-TRP-SER-GLN-PRO-LYS-LYS-LYS-ARG-LYS-VAL-OH

CAS号
CCD编号
CCD00948700
分子式
C158 H215 N39 O35
分子量
3220.67

基本信息

产品名称: H-LYS-GLU-THR-TRP-TRP-TRP-GLU-THR-TRP-TRP-TRP-THR-GLU-TRP-SER-GLN-PRO-LYS-LYS-LYS-ARG-LYS-VAL-OH
英文同义词: H-LYS-GLU-THR-TRP-TRP-TRP-GLU-THR-TRP-TRP-TRP-THR-GLU-TRP-SER-GLN-PRO-LYS-LYS-LYS-ARG-LYS-VAL-OH
MDL号: MFCD10566486
氢键受体数量: 74
氢键供体数量: 46
Smile: CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H](Cc8c[nH]c9c8cccc9)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N
InChi: InChI=1S/C158H215N39O35/c1-83(2)131(157(231)232)193-141(215)112(50-24-29-65-163)179-139(213)113(51-30-66-168-158(166)167)180-137(211)110(48-22-27-63-161)177-136(210)109(47-21-26-62-160)178-138(212)111(49-23-28-64-162)182-152(226)126-52-31-67-197(126)156(230)117(53-57-127(165)202)184-151(225)125(82-198)192-149(223)121(71-90-78-172-105-43-16-9-35-97(90)105)185-140(214)114(54-58-128(203)204)183-153(227)132(84(3)199)196-150(224)124(74-93-81-175-108-46-19-12-38-100(93)108)189-146(220)120(70-89-77-171-104-42-15-8-34-96(89)104)188-148(222)123(73-92-80-174-107-45-18-11-37-99(92)107)191-155(229)134(86(5)201)195-143(217)116(56-60-130(207)208)181-144(218)118(68-87-75-169-102-40-13-6-32-94(87)102)186-145(219)119(69-88-76-170-103-41-14-7-33-95(88)103)187-147(221)122(72-91-79-173-106-44-17-10-36-98(91)106)190-154(228)133(85(4)200)194-142(216)115(55-59-129(205)206)176-135(209)101(164)39-20-25-61-159/h6-19,32-38,40-46,75-81,83-86,101,109-126,131-134,169-175,198-201H,20-31,39,47-74,82,159-164H2,1-5H3,(H2,165,202)(H,176,209)(H,177,210)(H,178,212)(H,179,213)(H,180,211)(H,181,218)(H,182,226)(H,183,227)(H,184,225)(H,185,214)(H,186,219)(H,187,221)(H,188,222)(H,189,220)(H,190,228)(H,191,229)(H,192,223)(H,193,215)(H,194,216)(H,195,217)(H,196,224)(H,203,204)(H,205,206)(H,207,208)(H,231,232)(H4,166,167,168)/t84-,85-,86-,101+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,131+,132+,133+,134+/m1/s1
InChiKey: InChIKey=IVCXHZKEHFYJOX-DELMIBLASA-N

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