| Properties | Image |
|---|
| MNX_ID | MNXM1120518 |
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| reference | chebi:157890 |
| formula | C15H22N6O5 |
| global charge | 0 |
| mol weight | 366.378 |
| InChIKey | GNBHSMFBUNEWCJ-DCAQKATOSA-N |
| InChI | InChI=1S/C15H22N6O5/c16-9(4-8-6-18-7-19-8)14(24)21-3-1-2-11(21)13(23)20-10(15(25)26)5-12(17)22/h6-7,9-11H,1-5,16H2,(H2,17,22)(H,18,19)(H,20,23)(H,25,26)/t9-,10-,11-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H22N6O5/c16-9(4-8-6-18-7-19-8)14(24)21-3-1-2-11(21)13(23)20-10(15(25)26)5-12(17)22/h6-7,9-11H,1-5,16H2,(H2,17,22)(H,18,19)(H,20,23)(H,25,26)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:11]([C:13](=[N:20][C@@H:10]([CH2:5][C:12](=[NH:17])[OH:22])[C:15](=[O:25])[OH:26])[OH:23])[N:21]([C:14]([C@H:9]([CH2:4][C:8]2=[CH:6][N:18]=[CH:7][NH:19]2)[NH2:16])=[O:24])[CH2:3]1 |
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