| Properties | Image |
|---|
| MNX_ID | MNXM155765 |
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| reference | keggD:D10421 |
| formula | C27H33Cl2FN4O8 |
| global charge | 0 |
| mol weight | 631.485 |
| InChIKey | JYCNMRVZELJVAW-RZVFYPHASA-N |
| InChI | InChI=1S/C27H31FN4O8.2ClH/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39;;/h9,11,13,20,34,36-37,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33);2*1H/t11-,13-,20-,27-;;/m0../s1 |
| SMILES | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(C[C@H]3C[C@@H]12)C(F)=CC(NC(=O)CN1CCCC1)=C4O.Cl.Cl |
MNX internals
| InChI (mnx) | InChI=1/C27H31FN4O8.2ClH/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39;;/h9,11,13,20,34,36-37,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33);2*1H/t11-,13-,20-,27-;;/m0../s1 |
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| SMILES (mnx) | [CH3:1][N:31]([CH3:2])[C@H:20]1[C@@H:13]2[CH2:8][C@@H:11]3[CH2:7][C:12]4=[C:14]([F:28])[CH:9]=[C:15]([N:30]=[C:16]([CH2:10][N:32]5[CH2:5][CH2:3][CH2:4][CH2:6]5)[OH:33])[C:21]([OH:34])=[C:18]4[C:22](=[O:35])[C:17]3=[C:24]([OH:37])[C@:27]2([OH:40])[C:25](=[O:38])[C:19]([C:26](=[NH:29])[OH:39])=[C:23]1[OH:36].[ClH:41].[ClH:42] |
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