| Properties | Image |
|---|
| MNX_ID | MNXM819666 |
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| reference | sabiorkM:29934 |
| formula | C19H25N5O8 |
| global charge | 0 |
| mol weight | 451.436 |
| InChIKey | GVUGADOWXGKRAE-SRVKXCTJSA-N |
| InChI | InChI=1S/C19H25N5O8/c1-10(20-15(25)8-9-16(26)27)17(28)21-11(2)18(29)22-12(3)19(30)23-13-4-6-14(7-5-13)24(31)32/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,28)(H,22,29)(H,23,30)(H,26,27)/t10-,11-,12-/m0/s1 |
| SMILES | C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)NC1=CC=C([N+](=O)[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H25N5O8/c1-10(20-15(25)8-9-16(26)27)17(28)21-11(2)18(29)22-12(3)19(30)23-13-4-6-14(7-5-13)24(31)32/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,28)(H,22,29)(H,23,30)(H,26,27)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:10]([C:17](=[N:21][C@@H:11]([CH3:2])[C:18](=[N:22][C@@H:12]([CH3:3])[C:19]([NH:23][C:13]1=[CH:5][CH:7]=[C:14]([N+:24]([O-:31])=[O:32])[CH:6]=[CH:4]1)=[O:30])[OH:29])[OH:28])[N:20]=[C:15]([CH2:8][CH2:9][C:16](=[O:26])[OH:27])[OH:25] |
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