| Properties | Image |
|---|
| MNX_ID | MNXM1194468 |
 |
| reference | envipathM:...623ec2b12d8c |
| formula | C24H26N5O6 |
| global charge | -1 |
| mol weight | 480.501 |
| InChIKey | UZQFXARITPEQRH-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H27N5O6/c1-3-4-5-19(32)29(21(24(34)35)14(2)13-30)12-15-6-8-16(9-7-15)17-10-11-18(31)22(33)20(17)23-25-27-28-26-23/h6-11,13-14,21,31,33H,3-5,12H2,1-2H3,(H,34,35)(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)C=O |
MNX internals
| InChI (mnx) | InChI=1/C24H27N5O6/c1-3-4-5-19(32)29(21(24(34)35)14(2)13-30)12-15-6-8-16(9-7-15)17-10-11-18(31)22(33)20(17)23-25-27-28-26-23/h6-11,13-14,21,31,33H,3-5,12H2,1-2H3,(H,34,35)(H,25,26,27,28)/t14?,21? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][C:19]([N:29]([CH2:12][C:15]1=[CH:7][CH:9]=[C:16]([C:17]2=[C:20]([C:23]3=[N:25][NH:27][N:28]=[N:26]3)[C:22]([OH:33])=[C:18]([OH:31])[CH:11]=[CH:10]2)[CH:8]=[CH:6]1)[CH:21]([CH:14]([CH3:2])[CH:13]=[O:30])[C:24](=[O:34])[OH:35])=[O:32] |
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