SIVMAC239-74

CAS号
CCD编号
CCD00416786
分子式
C88 H129 N23 O23
分子量
1877.13

基本信息

产品名称: SIVMAC239-74
英文同义词: H-PRO-PHE-GLN-SER-TYR-VAL-ASP-ARG-PHE-TYR-LYS-SER-LEU-ARG-ALA-OH ; PFQSYVDRFYKSLRA ; SIVMAC239-74
MDL号: MFCD03790720
氢键受体数量: 46
氢键供体数量: 29
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CCCN5
InChi: InChI=1S/C88H129N23O23/c1-47(2)39-61(77(124)100-58(23-15-37-96-87(91)92)73(120)98-49(5)86(133)134)103-83(130)67(45-112)109-75(122)57(21-12-13-35-89)99-78(125)64(42-52-25-29-54(114)30-26-52)106-80(127)63(41-51-19-10-7-11-20-51)105-74(121)59(24-16-38-97-88(93)94)101-81(128)66(44-70(117)118)108-85(132)71(48(3)4)111-82(129)65(43-53-27-31-55(115)32-28-53)107-84(131)68(46-113)110-76(123)60(33-34-69(90)116)102-79(126)62(40-50-17-8-6-9-18-50)104-72(119)56-22-14-36-95-56/h6-11,17-20,25-32,47-49,56-68,71,95,112-115H,12-16,21-24,33-46,89H2,1-5H3,(H2,90,116)(H,98,120)(H,99,125)(H,100,124)(H,101,128)(H,102,126)(H,103,130)(H,104,119)(H,105,121)(H,106,127)(H,107,131)(H,108,132)(H,109,122)(H,110,123)(H,111,129)(H,117,118)(H,133,134)(H4,91,92,96)(H4,93,94,97)/t49-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,71-/m0/s1
InChiKey: InChIKey=OUCZCYPEOGTIJM-PDLDTLHASA-N

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