| Properties | Image |
|---|
| MNX_ID | MNXM1122058 |
 |
| reference | chebi:159447 |
| formula | C16H30N6O6 |
| global charge | 0 |
| mol weight | 402.452 |
| InChIKey | ULBHWNVWSCJLCO-NHCYSSNCSA-N |
| InChI | InChI=1S/C16H30N6O6/c1-8(2)12(14(26)21-10(15(27)28)5-6-11(23)24)22-13(25)9(17)4-3-7-20-16(18)19/h8-10,12H,3-7,17H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,12-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N6O6/c1-8(2)12(14(26)21-10(15(27)28)5-6-11(23)24)22-13(25)9(17)4-3-7-20-16(18)19/h8-10,12H,3-7,17H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[C@@H:12]([C:14](=[N:21][C@@H:10]([CH2:5][CH2:6][C:11](=[O:23])[OH:24])[C:15](=[O:27])[OH:28])[OH:26])[N:22]=[C:13]([C@H:9]([CH2:4][CH2:3][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[NH2:17])[OH:25] |
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