主记录
Rezafungin acetate
- CAS
- 1631754-41-0
- PubChem CID
- 78318118
- SMILES
- CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)OCC[N+](C)(C)C)O.CC(=O)[O-]
- 分子式
- C65H88N8O19
- 分子量
- 1285.456
- 精确分子量
- 1284.6166
- InChI
- InChI=1S/C63H84N8O17.C2H4O2/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81;1-2(3)4/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84);1H3,(H,3,4)/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,61+;/m0./s1
- InChIKey
- MXMWJAPNUIKPGF-YOFVRWEXSA-N
- LogP
- -1.4404
- TPSA
- 406.55
名称与别名
- Rezafungin acetate
- Biafungin acetate
- Rezafungin (acetate)
- rezafungini acetas
- acetate de rezafungine
- acetato de rezafungina
- CD101 acetate
- REZZAYO
- CD-101 acetate
- SP-3025 acetate
- 1631754-41-0
- orb1708667
- CHEMBL3989928
- SCHEMBL29416870
- CHEBI:230470
- EX-A5921
- AKOS040736672
- AT38221
- HY-108009A
- DA-57411
- MS-32091
- CS-0114091
- Biafungin acetate;CD101 acetate;SP-3025 acetate
- A1013752
- 2-{[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-({[4''-(pentyloxy)[1,1':4',1''-terphenyl]-4-yl]carbonyl}amino)tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-12-yl]oxy}-N,N,N-trimethylethanaminium acetate