| Properties | Image |
|---|
| MNX_ID | MNXM1172482 |
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| reference | envipathM:...1d50aba1d3ad |
| formula | C24H28N5O7 |
| global charge | -1 |
| mol weight | 498.516 |
| InChIKey | FUOOJGFRESEMKZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H29N5O7/c1-4-5-18(31)22(33)29(24(36,13(2)3)23(34)35)12-14-6-8-15(9-7-14)16-10-11-17(30)20(32)19(16)21-25-27-28-26-21/h6-11,13,18,30-32,36H,4-5,12H2,1-3H3,(H,34,35)(H,25,26,27,28)/p-1 |
| SMILES | CCCC(O)C(=O)N(CC1=CC=C(C2=CC=C(O)C(O)=C2C2=NNN=N2)C=C1)C(O)(C(=O)[O-])C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C24H29N5O7/c1-4-5-18(31)22(33)29(24(36,13(2)3)23(34)35)12-14-6-8-15(9-7-14)16-10-11-17(30)20(32)19(16)21-25-27-28-26-21/h6-11,13,18,30-32,36H,4-5,12H2,1-3H3,(H,34,35)(H,25,26,27,28)/t18?,24? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH:18]([C:22]([N:29]([CH2:12][C:14]1=[CH:7][CH:9]=[C:15]([C:16]2=[C:19]([C:21]3=[N:25][NH:27][N:28]=[N:26]3)[C:20]([OH:32])=[C:17]([OH:30])[CH:11]=[CH:10]2)[CH:8]=[CH:6]1)[C:24]([CH:13]([CH3:2])[CH3:3])([C:23](=[O:34])[OH:35])[OH:36])=[O:33])[OH:31] |
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