| Properties | Image |
|---|
| MNX_ID | MNXM1122458 |
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| reference | chebi:159851 |
| formula | C16H26N6O5 |
| global charge | 0 |
| mol weight | 382.421 |
| InChIKey | KMCRKVOLRCOMBG-DJFWLOJKSA-N |
| InChI | InChI=1S/C16H26N6O5/c1-3-8(2)13(22-14(24)10(17)5-12(18)23)15(25)21-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,17H2,1-2H3,(H2,18,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8-,10-,11-,13-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H26N6O5/c1-3-8(2)13(22-14(24)10(17)5-12(18)23)15(25)21-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,17H2,1-2H3,(H2,18,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8-,10-,11-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:8]([CH3:2])[C@@H:13]([C:15](=[N:21][C@@H:11]([CH2:4][C:9]1=[CH:6][N:19]=[CH:7][NH:20]1)[C:16](=[O:26])[OH:27])[OH:25])[N:22]=[C:14]([C@H:10]([CH2:5][C:12](=[NH:18])[OH:23])[NH2:17])[OH:24] |
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