SIVMAC239 ENVELOPE-84

CAS号
CCD编号
CCD00416919
分子式
C95 H142 N28 O29 . H2 O
分子量
2158.35

基本信息

产品名称: SIVMAC239 ENVELOPE-84
英文同义词: HEAVQAVWRSATETLAGAWG ; SIVMAC239 ENVELOPE-84 ; H-HIS-GLU-ALA-VAL-GLN-ALA-VAL-TRP-ARG-SER-ALA-THR-GLU-THR-LEU-ALA-GLY-ALA-TRP-GLY-OH
MDL号: MFCD03790853
氢键受体数量: 57
氢键供体数量: 33
Smile: CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5c[nH]cn5)N.O
InChi: InChI=1S/C95H142N28O29.H2O/c1-42(2)31-64(88(146)108-45(7)77(135)104-38-69(128)107-46(8)78(136)116-65(83(141)105-39-72(133)134)32-52-35-102-58-21-16-14-19-55(52)58)117-94(152)76(51(13)126)123-87(145)63(26-29-71(131)132)115-93(151)75(50(12)125)122-81(139)49(11)111-90(148)67(40-124)119-86(144)60(23-18-30-101-95(98)99)113-89(147)66(33-53-36-103-59-22-17-15-20-56(53)59)118-92(150)74(44(5)6)121-80(138)47(9)109-84(142)61(24-27-68(97)127)114-91(149)73(43(3)4)120-79(137)48(10)110-85(143)62(25-28-70(129)130)112-82(140)57(96)34-54-37-100-41-106-54;/h14-17,19-22,35-37,41-51,57,60-67,73-76,102-103,124-126H,18,23-34,38-40,96H2,1-13H3,(H2,97,127)(H,100,106)(H,104,135)(H,105,141)(H,107,128)(H,108,146)(H,109,142)(H,110,143)(H,111,148)(H,112,140)(H,113,147)(H,114,149)(H,115,151)(H,116,136)(H,117,152)(H,118,150)(H,119,144)(H,120,137)(H,121,138)(H,122,139)(H,123,145)(H,129,130)(H,131,132)(H,133,134)(H4,98,99,101);1H2/t45-,46-,47-,48-,49-,50+,51+,57-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,76-;/m0./s1
InChiKey: InChIKey=STVGCBCXASSOCV-MXNKWHQVSA-N

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