| Properties | Image |
|---|
| MNX_ID | MNXM1121248 |
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| reference | chebi:158635 |
| formula | C23H26N4O5 |
| global charge | 0 |
| mol weight | 438.484 |
| InChIKey | DEAGTWNKODHUIY-MRFFXTKBSA-N |
| InChI | InChI=1S/C23H26N4O5/c1-13(24)21(29)26-19(10-14-6-8-16(28)9-7-14)22(30)27-20(23(31)32)11-15-12-25-18-5-3-2-4-17(15)18/h2-9,12-13,19-20,25,28H,10-11,24H2,1H3,(H,26,29)(H,27,30)(H,31,32)/t13-,19-,20-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H26N4O5/c1-13(24)21(29)26-19(10-14-6-8-16(28)9-7-14)22(30)27-20(23(31)32)11-15-12-25-18-5-3-2-4-17(15)18/h2-9,12-13,19-20,25,28H,10-11,24H2,1H3,(H,26,29)(H,27,30)(H,31,32)/t13-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:13]([C:21](=[N:26][C@@H:19]([CH2:10][C:14]1=[CH:7][CH:9]=[C:16]([OH:28])[CH:8]=[CH:6]1)[C:22](=[N:27][C@@H:20]([CH2:11][C:15]1=[CH:12][NH:25][C:18]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:17]12)[C:23](=[O:31])[OH:32])[OH:30])[OH:29])[NH2:24] |
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