| Properties | Image |
|---|
| MNX_ID | MNXM1183670 |
 |
| reference | envipathM:...82942abbff17 |
| formula | C24H26N5O7 |
| global charge | -1 |
| mol weight | 496.5 |
| InChIKey | IZYTUFDSGOYHFH-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H27N5O7/c1-3-4-9-18(31)29(21(23(34)35)24(2,36)13-30)12-14-10-11-16(20(33)19(14)32)15-7-5-6-8-17(15)22-25-27-28-26-22/h5-8,10-11,13,21,32-33,36H,3-4,9,12H2,1-2H3,(H,34,35)(H,25,26,27,28)/p-1 |
| SMILES | CCCCC(=O)N(CC1=C(O)C(O)=C(C2=CC=CC=C2C2=NNN=N2)C=C1)C(C(=O)[O-])C(C)(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C24H27N5O7/c1-3-4-9-18(31)29(21(23(34)35)24(2,36)13-30)12-14-10-11-16(20(33)19(14)32)15-7-5-6-8-17(15)22-25-27-28-26-22/h5-8,10-11,13,21,32-33,36H,3-4,9,12H2,1-2H3,(H,34,35)(H,25,26,27,28)/t21?,24? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:9][C:18]([N:29]([CH2:12][C:14]1=[C:19]([OH:32])[C:20]([OH:33])=[C:16]([C:15]2=[CH:7][CH:5]=[CH:6][CH:8]=[C:17]2[C:22]2=[N:25][NH:27][N:28]=[N:26]2)[CH:11]=[CH:10]1)[CH:21]([C:23](=[O:34])[OH:35])[C:24]([CH3:2])([CH:13]=[O:30])[OH:36])=[O:31] |
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