| Properties | Image |
|---|
| MNX_ID | MNXM1181882 |
 |
| reference | envipathM:...25b8ef4d6271 |
| formula | C24H28N5O4 |
| global charge | -1 |
| mol weight | 450.519 |
| InChIKey | WFTHJYXTAIPUOD-QFIPXVFZSA-M |
| InChI | InChI=1S/C24H29N5O4/c1-16(2)22(24(32)33)29(21(31)9-5-6-14-30)15-17-10-12-18(13-11-17)19-7-3-4-8-20(19)23-25-27-28-26-23/h3-4,7-8,10-13,16,22,30H,5-6,9,14-15H2,1-2H3,(H,32,33)(H,25,26,27,28)/p-1/t22-/m0/s1 |
| SMILES | CC(C)[C@@H](C(=O)[O-])N(CC1=CC=C(C2=CC=CC=C2C2=NN=NN2)C=C1)C(=O)CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C24H29N5O4/c1-16(2)22(24(32)33)29(21(31)9-5-6-14-30)15-17-10-12-18(13-11-17)19-7-3-4-8-20(19)23-25-27-28-26-23/h3-4,7-8,10-13,16,22,30H,5-6,9,14-15H2,1-2H3,(H,32,33)(H,25,26,27,28)/t22-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[C@@H:22]([C:24](=[O:32])[OH:33])[N:29]([CH2:15][C:17]1=[CH:11][CH:13]=[C:18]([C:19]2=[CH:7][CH:3]=[CH:4][CH:8]=[C:20]2[C:23]2=[N:25][NH:27][N:28]=[N:26]2)[CH:12]=[CH:10]1)[C:21]([CH2:9][CH2:5][CH2:6][CH2:14][OH:30])=[O:31] |
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