| Properties | Image |
|---|
| MNX_ID | MNXM1123324 |
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| reference | chebi:160725 |
| formula | C16H26N6O6 |
| global charge | 0 |
| mol weight | 398.42 |
| InChIKey | AKKUDRZKFZWPBH-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H26N6O6/c17-4-2-1-3-11(21-14(25)10(18)6-13(23)24)15(26)22-12(16(27)28)5-9-7-19-8-20-9/h7-8,10-12H,1-6,17-18H2,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t10-,11-,12-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H26N6O6/c17-4-2-1-3-11(21-14(25)10(18)6-13(23)24)15(26)22-12(16(27)28)5-9-7-19-8-20-9/h7-8,10-12H,1-6,17-18H2,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:17])[CH2:3][C@@H:11]([C:15](=[N:22][C@@H:12]([CH2:5][C:9]1=[CH:7][N:19]=[CH:8][NH:20]1)[C:16](=[O:27])[OH:28])[OH:26])[N:21]=[C:14]([C@H:10]([CH2:6][C:13](=[O:23])[OH:24])[NH2:18])[OH:25] |
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