| Properties | Image |
|---|
| MNX_ID | MNXM1123986 |
 |
| reference | chebi:161388 |
| formula | C24H26N4O6 |
| global charge | 0 |
| mol weight | 466.494 |
| InChIKey | QPQDWBAJWOGAMJ-IHPCNDPISA-N |
| InChI | InChI=1S/C24H26N4O6/c25-17(10-14-6-2-1-3-7-14)22(31)27-19(12-21(29)30)23(32)28-20(24(33)34)11-15-13-26-18-9-5-4-8-16(15)18/h1-9,13,17,19-20,26H,10-12,25H2,(H,27,31)(H,28,32)(H,29,30)(H,33,34)/t17-,19-,20-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H26N4O6/c25-17(10-14-6-2-1-3-7-14)22(31)27-19(12-21(29)30)23(32)28-20(24(33)34)11-15-13-26-18-9-5-4-8-16(15)18/h1-9,13,17,19-20,26H,10-12,25H2,(H,27,31)(H,28,32)(H,29,30)(H,33,34)/t17-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:14]([CH2:10][C@@H:17]([C:22](=[N:27][C@@H:19]([CH2:12][C:21](=[O:29])[OH:30])[C:23](=[N:28][C@@H:20]([CH2:11][C:15]2=[CH:13][NH:26][C:18]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:16]23)[C:24](=[O:33])[OH:34])[OH:32])[OH:31])[NH2:25])[CH:7]=[CH:3]1 |
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