| Properties | Image |
|---|
| MNX_ID | MNXM1182243 |
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| reference | envipathM:...dcef21ccd173 |
| formula | C24H26N5O7 |
| global charge | -1 |
| mol weight | 496.5 |
| InChIKey | IRDRPDPHSYBOKG-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H27N5O7/c1-2-3-4-19(33)29(21(24(35)36)16(12-30)13-31)11-14-5-7-15(8-6-14)17-9-10-18(32)22(34)20(17)23-25-27-28-26-23/h5-10,12,16,21,31-32,34H,2-4,11,13H2,1H3,(H,35,36)(H,25,26,27,28)/p-1 |
| SMILES | CCCCC(=O)N(CC1=CC=C(C2=CC=C(O)C(O)=C2C2=NNN=N2)C=C1)C(C(=O)[O-])C(C=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C24H27N5O7/c1-2-3-4-19(33)29(21(24(35)36)16(12-30)13-31)11-14-5-7-15(8-6-14)17-9-10-18(32)22(34)20(17)23-25-27-28-26-23/h5-10,12,16,21,31-32,34H,2-4,11,13H2,1H3,(H,35,36)(H,25,26,27,28)/t16?,21? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][C:19]([N:29]([CH2:11][C:14]1=[CH:6][CH:8]=[C:15]([C:17]2=[C:20]([C:23]3=[N:25][NH:27][N:28]=[N:26]3)[C:22]([OH:34])=[C:18]([OH:32])[CH:10]=[CH:9]2)[CH:7]=[CH:5]1)[CH:21]([CH:16]([CH:12]=[O:30])[CH2:13][OH:31])[C:24](=[O:35])[OH:36])=[O:33] |
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