| Properties | Image |
|---|
| MNX_ID | MNXM1197870 |
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| reference | envipathM:...f7e0831eddd9 |
| formula | C22H24N5O7 |
| global charge | -3 |
| mol weight | 470.462 |
| InChIKey | LTQZJOWQBPTWKL-MSUUIHNZSA-K |
| InChI | InChI=1S/C22H27N5O7/c1-4-5-6-15(28)27(18(12(2)3)22(33)34)11-13-7-9-14(10-8-13)16(20(29)30)17(21(31)32)19-23-25-26-24-19/h7-10,12,18H,4-6,11H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)(H,23,24,25,26)/p-3/b17-16- |
| SMILES | CCCCC(=O)N(CC1=CC=C(/C(C(=O)[O-])=C(/C(=O)[O-])C2=NNN=N2)C=C1)C(C(=O)[O-])C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C22H27N5O7/c1-4-5-6-15(28)27(18(12(2)3)22(33)34)11-13-7-9-14(10-8-13)16(20(29)30)17(21(31)32)19-23-25-26-24-19/h7-10,12,18H,4-6,11H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)(H,23,24,25,26)/b17-16-/t18? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][C:15]([N:27]([CH2:11][C:13]1=[CH:8][CH:10]=[C:14](/[C:16](=[C:17](\[C:19]2=[N:23][NH:25][N:26]=[N:24]2)[C:21](=[O:31])[OH:32])[C:20](=[O:29])[OH:30])[CH:9]=[CH:7]1)[CH:18]([CH:12]([CH3:2])[CH3:3])[C:22](=[O:33])[OH:34])=[O:28] |
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