| Properties | Image |
|---|
| MNX_ID | MNXM1123271 |
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| reference | chebi:160671 |
| formula | C16H30N6O6 |
| global charge | 0 |
| mol weight | 402.452 |
| InChIKey | SCQIQCWLOMOEFP-DCAQKATOSA-N |
| InChI | InChI=1S/C16H30N6O6/c1-8(2)6-11(22-13(25)9(17)7-12(23)24)14(26)21-10(15(27)28)4-3-5-20-16(18)19/h8-11H,3-7,17H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
| SMILES | CC(C)C[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/C16H30N6O6/c1-8(2)6-11(22-13(25)9(17)7-12(23)24)14(26)21-10(15(27)28)4-3-5-20-16(18)19/h8-11H,3-7,17H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:6][C@@H:11]([C:14](=[N:21][C@@H:10]([CH2:4][CH2:3][CH2:5][NH:20][C:16](=[NH:18])[NH2:19])[C:15](=[O:27])[OH:28])[OH:26])[N:22]=[C:13]([C@H:9]([CH2:7][C:12](=[O:23])[OH:24])[NH2:17])[OH:25] |
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