| Properties | Image |
| MNX_ID | MNXM1124146 |
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| reference | chebi:161548 |
| formula | C20H23N3O5 |
| global charge | 0 |
| mol weight | 385.42 |
| InChIKey | WFHRXJOZEXUKLV-IRXDYDNUSA-N |
| InChI | InChI=1S/C20H23N3O5/c21-16(10-13-4-2-1-3-5-13)19(26)22-12-18(25)23-17(20(27)28)11-14-6-8-15(24)9-7-14/h1-9,16-17,24H,10-12,21H2,(H,22,26)(H,23,25)(H,27,28)/t16-,17-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H23N3O5/c21-16(10-13-4-2-1-3-5-13)19(26)22-12-18(25)23-17(20(27)28)11-14-6-8-15(24)9-7-14/h1-9,16-17,24H,10-12,21H2,(H,22,26)(H,23,25)(H,27,28)/t16-,17-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]([CH2:10][C@@H:16]([C:19](=[N:22][CH2:12][C:18](=[N:23][C@@H:17]([CH2:11][C:14]2=[CH:7][CH:9]=[C:15]([OH:24])[CH:8]=[CH:6]2)[C:20](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:21])[CH:5]=[CH:3]1 |
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