| Properties | Image |
|---|
| MNX_ID | MNXM1125352 |
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| reference | chebi:162764 |
| formula | C20H25N5O7 |
| global charge | 0 |
| mol weight | 447.448 |
| InChIKey | BUVMZWZNWMKASN-QEJZJMRPSA-N |
| InChI | InChI=1S/C20H25N5O7/c21-12(5-6-17(27)28)18(29)24-14(8-16(22)26)19(30)25-15(20(31)32)7-10-9-23-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,29)(H,25,30)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H25N5O7/c21-12(5-6-17(27)28)18(29)24-14(8-16(22)26)19(30)25-15(20(31)32)7-10-9-23-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,29)(H,25,30)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]2[C:11](=[CH:3]1)[C:10]([CH2:7][C@@H:15]([C:20](=[O:31])[OH:32])[N:25]=[C:19]([C@H:14]([CH2:8][C:16](=[NH:22])[OH:26])[N:24]=[C:18]([C@H:12]([CH2:5][CH2:6][C:17](=[O:27])[OH:28])[NH2:21])[OH:29])[OH:30])=[CH:9][NH:23]2 |
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