| Properties | Image |
|---|
| MNX_ID | MNXM1190572 |
 |
| reference | envipathM:...6e1bdd61b263 |
| formula | C24H26N5O7 |
| global charge | -1 |
| mol weight | 496.5 |
| InChIKey | VDTVXSYYJYCFPV-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H27N5O7/c1-13(2)20(24(35)36)29(19(32)9-5-6-10-30)12-17-18(31)11-16(21(33)22(17)34)14-7-3-4-8-15(14)23-25-27-28-26-23/h3-4,7-8,10-11,13,20,31,33-34H,5-6,9,12H2,1-2H3,(H,35,36)(H,25,26,27,28)/p-1 |
| SMILES | CC(C)C(C(=O)[O-])N(CC1=C(O)C(O)=C(C2=CC=CC=C2C2=NNN=N2)C=C1O)C(=O)CCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C24H27N5O7/c1-13(2)20(24(35)36)29(19(32)9-5-6-10-30)12-17-18(31)11-16(21(33)22(17)34)14-7-3-4-8-15(14)23-25-27-28-26-23/h3-4,7-8,10-11,13,20,31,33-34H,5-6,9,12H2,1-2H3,(H,35,36)(H,25,26,27,28)/t20? |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH:20]([C:24](=[O:35])[OH:36])[N:29]([CH2:12][C:17]1=[C:18]([OH:31])[CH:11]=[C:16]([C:14]2=[CH:7][CH:3]=[CH:4][CH:8]=[C:15]2[C:23]2=[N:25][NH:27][N:28]=[N:26]2)[C:21]([OH:33])=[C:22]1[OH:34])[C:19]([CH2:9][CH2:5][CH2:6][CH:10]=[O:30])=[O:32] |
|