| Properties | Image |
|---|
| MNX_ID | MNXM1121200 |
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| reference | chebi:158587 |
| formula | C23H26N4O4 |
| global charge | 0 |
| mol weight | 422.485 |
| InChIKey | VQBULXOHAZSTQY-GKCIPKSASA-N |
| InChI | InChI=1S/C23H26N4O4/c1-14(24)21(28)26-19(12-16-13-25-18-10-6-5-9-17(16)18)22(29)27-20(23(30)31)11-15-7-3-2-4-8-15/h2-10,13-14,19-20,25H,11-12,24H2,1H3,(H,26,28)(H,27,29)(H,30,31)/t14-,19-,20-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H26N4O4/c1-14(24)21(28)26-19(12-16-13-25-18-10-6-5-9-17(16)18)22(29)27-20(23(30)31)11-15-7-3-2-4-8-15/h2-10,13-14,19-20,25H,11-12,24H2,1H3,(H,26,28)(H,27,29)(H,30,31)/t14-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:14]([C:21](=[N:26][C@@H:19]([CH2:12][C:16]1=[CH:13][NH:25][C:18]2=[CH:10][CH:6]=[CH:5][CH:9]=[C:17]12)[C:22](=[N:27][C@@H:20]([CH2:11][C:15]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[C:23](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:24] |
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