| Properties | Image |
|---|
| MNX_ID | MNXM1120522 |
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| reference | chebi:157898 |
| formula | C16H23N5O6 |
| global charge | 0 |
| mol weight | 381.389 |
| InChIKey | PYNPBMCLAKTHJL-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H23N5O6/c17-10(6-9-7-18-8-19-9)15(25)21-5-1-2-12(21)14(24)20-11(16(26)27)3-4-13(22)23/h7-8,10-12H,1-6,17H2,(H,18,19)(H,20,24)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N5O6/c17-10(6-9-7-18-8-19-9)15(25)21-5-1-2-12(21)14(24)20-11(16(26)27)3-4-13(22)23/h7-8,10-12H,1-6,17H2,(H,18,19)(H,20,24)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:12]([C:14](=[N:20][C@@H:11]([CH2:3][CH2:4][C:13](=[O:22])[OH:23])[C:16](=[O:26])[OH:27])[OH:24])[N:21]([C:15]([C@H:10]([CH2:6][C:9]2=[CH:7][N:18]=[CH:8][NH:19]2)[NH2:17])=[O:25])[CH2:5]1 |
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