| Properties | Image |
|---|
| MNX_ID | MNXM39918 |
 |
| reference | chebi:60224 |
| formula | C70H96F6N14O25 |
| global charge | 0 |
| mol weight | 1647.599 |
| InChIKey | DQZZISACLUGLFF-WMGPPELQSA-N |
| InChI | InChI=1S/C70H96F6N14O25/c1-8-33(4)55(89-67(113)56(35(6)91)90-57(103)34(5)80-59(105)41(83-64(110)47(30-53(101)102)81-36(7)92)16-12-13-27-78-58(104)39-29-38(69(71,72)73)17-18-40(39)70(74,75)76)65(111)79-31-49(94)82-46(28-37-14-10-9-11-15-37)63(109)85-44(21-25-51(97)98)62(108)88-54(32(2)3)66(112)86-42(19-23-48(77)93)60(106)84-43(20-24-50(95)96)61(107)87-45(68(114)115)22-26-52(99)100/h9-11,14-15,17-18,29,32-35,41-47,54-56,91H,8,12-13,16,19-28,30-31H2,1-7H3,(H2,77,93)(H,78,104)(H,79,111)(H,80,105)(H,81,92)(H,82,94)(H,83,110)(H,84,106)(H,85,109)(H,86,112)(H,87,107)(H,88,108)(H,89,113)(H,90,103)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,114,115)/t33-,34-,35+,41-,42-,43-,44-,45-,46-,47-,54-,55-,56-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)C1=C(C(F)(F)F)C=CC(C(F)(F)F)=C1)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C70H96F6N14O25/c1-8-33(4)55(89-67(113)56(35(6)91)90-57(103)34(5)80-59(105)41(83-64(110)47(30-53(101)102)81-36(7)92)16-12-13-27-78-58(104)39-29-38(69(71,72)73)17-18-40(39)70(74,75)76)65(111)79-31-49(94)82-46(28-37-14-10-9-11-15-37)63(109)85-44(21-25-51(97)98)62(108)88-54(32(2)3)66(112)86-42(19-23-48(77)93)60(106)84-43(20-24-50(95)96)61(107)87-45(68(114)115)22-26-52(99)100/h9-11,14-15,17-18,29,32-35,41-47,54-56,91H,8,12-13,16,19-28,30-31H2,1-7H3,(H2,77,93)(H,78,104)(H,79,111)(H,80,105)(H,81,92)(H,82,94)(H,83,110)(H,84,106)(H,85,109)(H,86,112)(H,87,107)(H,88,108)(H,89,113)(H,90,103)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,114,115)/t33-,34-,35+,41-,42-,43-,44-,45-,46-,47-,54-,55-,56-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][C@H:33]([CH3:4])[C@@H:55]([C:65](=[N:79][CH2:31][C:49](=[N:82][C@@H:46]([CH2:28][C:37]1=[CH:14][CH:10]=[CH:9][CH:11]=[CH:15]1)[C:63](=[N:85][C@@H:44]([CH2:21][CH2:25][C:51](=[O:97])[OH:98])[C:62](=[N:88][C@@H:54]([CH:32]([CH3:2])[CH3:3])[C:66](=[N:86][C@@H:42]([CH2:19][CH2:23][C:48](=[NH:77])[OH:93])[C:60](=[N:84][C@@H:43]([CH2:20][CH2:24][C:50](=[O:95])[OH:96])[C:61](=[N:87][C@@H:45]([CH2:22][CH2:26][C:52](=[O:99])[OH:100])[C:68](=[O:114])[OH:115])[OH:107])[OH:106])[OH:112])[OH:108])[OH:109])[OH:94])[OH:111])[N:89]=[C:67]([C@H:56]([C@@H:35]([CH3:6])[OH:91])[N:90]=[C:57]([C@H:34]([CH3:5])[N:80]=[C:59]([C@H:41]([CH2:16][CH2:12][CH2:13][CH2:27][N:78]=[C:58]([C:39]1=[C:40]([C:70]([F:74])([F:75])[F:76])[CH:18]=[CH:17][C:38]([C:69]([F:71])([F:72])[F:73])=[CH:29]1)[OH:104])[N:83]=[C:64]([C@H:47]([CH2:30][C:53](=[O:101])[OH:102])[N:81]=[C:36]([CH3:7])[OH:92])[OH:110])[OH:105])[OH:103])[OH:113] |
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