| Properties | Image |
|---|
| MNX_ID | MNXM1123115 |
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| reference | chebi:160515 |
| formula | C15H26N6O8 |
| global charge | 0 |
| mol weight | 418.407 |
| InChIKey | IJHUZMGJRGNXIW-CIUDSAMLSA-N |
| InChI | InChI=1S/C15H26N6O8/c16-7(6-11(24)25)12(26)20-8(3-4-10(22)23)13(27)21-9(14(28)29)2-1-5-19-15(17)18/h7-9H,1-6,16H2,(H,20,26)(H,21,27)(H,22,23)(H,24,25)(H,28,29)(H4,17,18,19)/t7-,8-,9-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H26N6O8/c16-7(6-11(24)25)12(26)20-8(3-4-10(22)23)13(27)21-9(14(28)29)2-1-5-19-15(17)18/h7-9H,1-6,16H2,(H,20,26)(H,21,27)(H,22,23)(H,24,25)(H,28,29)(H4,17,18,19)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:9]([C:14](=[O:28])[OH:29])[N:21]=[C:13]([C@H:8]([CH2:3][CH2:4][C:10](=[O:22])[OH:23])[N:20]=[C:12]([C@H:7]([CH2:6][C:11](=[O:24])[OH:25])[NH2:16])[OH:26])[OH:27])[CH2:5][NH:19][C:15](=[NH:17])[NH2:18] |
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