| Properties | Image |
|---|
| MNX_ID | MNXM1120790 |
 |
| reference | chebi:158173 |
| formula | C16H30N6O6 |
| global charge | 0 |
| mol weight | 402.452 |
| InChIKey | SACHLUOUHCVIKI-GMOBBJLQSA-N |
| InChI | InChI=1S/C16H30N6O6/c1-3-8(2)12(17)14(26)21-9(5-4-6-20-16(18)19)13(25)22-10(15(27)28)7-11(23)24/h8-10,12H,3-7,17H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)(H4,18,19,20)/t8-,9-,10-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N6O6/c1-3-8(2)12(17)14(26)21-9(5-4-6-20-16(18)19)13(25)22-10(15(27)28)7-11(23)24/h8-10,12H,3-7,17H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)(H4,18,19,20)/t8-,9-,10-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:8]([CH3:2])[C@@H:12]([C:14](=[N:21][C@@H:9]([CH2:5][CH2:4][CH2:6][NH:20][C:16](=[NH:18])[NH2:19])[C:13](=[N:22][C@@H:10]([CH2:7][C:11](=[O:23])[OH:24])[C:15](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:17] |
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