主记录
SM-164
- CAS
- 957135-43-2
- PubChem CID
- 17756618
- SMILES
- C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](C3=CC=CC=C3)C4=CN(N=N4)CCCCC5=CC=C(C=C5)CCCCN6C=C(N=N6)[C@H](C7=CC=CC=C7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H](CCCC9)NC(=O)[C@H](C)NC)NC
- 分子式
- C62H84N14O6
- 分子量
- 1121.446
- 精确分子量
- 1120.6698
- InChI
- InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50-,53-,54-,55-,56-/m0/s1
- InChIKey
- LGYDZXNSSLRFJS-IOQQVAQYSA-N
- LogP
- 5.3792
- TPSA
- 242.5
名称与别名
- SM-164
- 957135-43-2
- G2VA4GC8KB
- SM164
- SM-164 (pharmaceutical)
- UNII-G2VA4GC8KB
- RefChem:931861
- SM 164
- CHEMBL1774154
- SM-164 [WHO-DD]
- orb1309086
- SCHEMBL9973411
- SM 164 [WHO-DD]
- CHEBI:192710
- MFCD28167763
- C62H84N14O6
- EX-A1941
- BDBM50343522
- AKOS030527040
- CS-2993
- SM-164?
- (3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-((1,4-phenylenebis(butane-4,1-diyl))bis(1H-1,2,3-triazole-1,4-diyl))bis(phenylmethylene))bis(6-((S)-2-(methylamino)propanamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide)
- NCGC00263236-01
- AC-35485
- CID:17756618
- FS137718
- HY-15989
- MS-31985
- SID:160644543
- A909976