| Properties | Image |
|---|
| MNX_ID | MNXM1123311 |
 |
| reference | chebi:160712 |
| formula | C16H31N7O6 |
| global charge | 0 |
| mol weight | 417.467 |
| InChIKey | UZFHNLYQWMGUHU-DCAQKATOSA-N |
| InChI | InChI=1S/C16H31N7O6/c17-6-2-1-4-10(22-13(26)9(18)8-12(24)25)14(27)23-11(15(28)29)5-3-7-21-16(19)20/h9-11H,1-8,17-18H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t9-,10-,11-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N7O6/c17-6-2-1-4-10(22-13(26)9(18)8-12(24)25)14(27)23-11(15(28)29)5-3-7-21-16(19)20/h9-11H,1-8,17-18H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][NH2:17])[CH2:4][C@@H:10]([C:14](=[N:23][C@@H:11]([CH2:5][CH2:3][CH2:7][NH:21][C:16](=[NH:19])[NH2:20])[C:15](=[O:28])[OH:29])[OH:27])[N:22]=[C:13]([C@H:9]([CH2:8][C:12](=[O:24])[OH:25])[NH2:18])[OH:26] |
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