| Properties | Image |
| MNX_ID | MNXM1127647 |
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| reference | chebi:165074 |
| formula | C15H20N4O6 |
| global charge | 0 |
| mol weight | 352.347 |
| InChIKey | CDHQEOXPWBDFPL-QWRGUYRKSA-N |
| InChI | InChI=1S/C15H20N4O6/c16-10(5-8-1-3-9(20)4-2-8)14(23)18-7-13(22)19-11(15(24)25)6-12(17)21/h1-4,10-11,20H,5-7,16H2,(H2,17,21)(H,18,23)(H,19,22)(H,24,25)/t10-,11-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H20N4O6/c16-10(5-8-1-3-9(20)4-2-8)14(23)18-7-13(22)19-11(15(24)25)6-12(17)21/h1-4,10-11,20H,5-7,16H2,(H2,17,21)(H,18,23)(H,19,22)(H,24,25)/t10-,11-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:20])=[CH:4][CH:2]=[C:8]1[CH2:5][C@@H:10]([C:14](=[N:18][CH2:7][C:13](=[N:19][C@@H:11]([CH2:6][C:12](=[NH:17])[OH:21])[C:15](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:16] |
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