| Properties | Image |
|---|
| MNX_ID | MNXM1121570 |
 |
| reference | chebi:158958 |
| formula | C16H30N6O6 |
| global charge | 0 |
| mol weight | 402.452 |
| InChIKey | GOWZVQXTHUCNSQ-NHCYSSNCSA-N |
| InChI | InChI=1S/C16H30N6O6/c1-8(2)12(15(27)28)22-14(26)10(5-6-11(23)24)21-13(25)9(17)4-3-7-20-16(18)19/h8-10,12H,3-7,17H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,12-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N6O6/c1-8(2)12(15(27)28)22-14(26)10(5-6-11(23)24)21-13(25)9(17)4-3-7-20-16(18)19/h8-10,12H,3-7,17H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[C@@H:12]([C:15](=[O:27])[OH:28])[N:22]=[C:14]([C@H:10]([CH2:5][CH2:6][C:11](=[O:23])[OH:24])[N:21]=[C:13]([C@H:9]([CH2:4][CH2:3][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[NH2:17])[OH:25])[OH:26] |
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