| Properties | Image |
|---|
| MNX_ID | MNXM1120521 |
 |
| reference | chebi:157896 |
| formula | C16H24N6O5 |
| global charge | 0 |
| mol weight | 380.405 |
| InChIKey | XJFITURPHAKKAI-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H24N6O5/c17-10(6-9-7-19-8-20-9)15(25)22-5-1-2-12(22)14(24)21-11(16(26)27)3-4-13(18)23/h7-8,10-12H,1-6,17H2,(H2,18,23)(H,19,20)(H,21,24)(H,26,27)/t10-,11-,12-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H24N6O5/c17-10(6-9-7-19-8-20-9)15(25)22-5-1-2-12(22)14(24)21-11(16(26)27)3-4-13(18)23/h7-8,10-12H,1-6,17H2,(H2,18,23)(H,19,20)(H,21,24)(H,26,27)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:12]([C:14](=[N:21][C@@H:11]([CH2:3][CH2:4][C:13](=[NH:18])[OH:23])[C:16](=[O:26])[OH:27])[OH:24])[N:22]([C:15]([C@H:10]([CH2:6][C:9]2=[CH:7][N:19]=[CH:8][NH:20]2)[NH2:17])=[O:25])[CH2:5]1 |
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