| Properties | Image |
| MNX_ID | MNXM1120533 |
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| reference | chebi:157914 |
| formula | C16H23N5O4 |
| global charge | 0 |
| mol weight | 349.391 |
| InChIKey | LNDVNHOSZQPJGI-AVGNSLFASA-N |
| InChI | InChI=1S/C16H23N5O4/c17-11(7-10-8-18-9-19-10)14(22)20-5-1-3-12(20)15(23)21-6-2-4-13(21)16(24)25/h8-9,11-13H,1-7,17H2,(H,18,19)(H,24,25)/t11-,12-,13-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N5O4/c17-11(7-10-8-18-9-19-10)14(22)20-5-1-3-12(20)15(23)21-6-2-4-13(21)16(24)25/h8-9,11-13H,1-7,17H2,(H,18,19)(H,24,25)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:3][C@@H:12]([C:15]([N:21]2[CH2:6][CH2:2][CH2:4][C@H:13]2[C:16](=[O:24])[OH:25])=[O:23])[N:20]([C:14]([C@H:11]([CH2:7][C:10]2=[CH:8][N:18]=[CH:9][NH:19]2)[NH2:17])=[O:22])[CH2:5]1 |
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