| Properties | Image |
|---|
| MNX_ID | MNXM1126237 |
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| reference | chebi:163651 |
| formula | C16H33N9O5 |
| global charge | 0 |
| mol weight | 431.498 |
| InChIKey | XYEXCEPTALHNEV-RCWTZXSCSA-N |
| InChI | InChI=1S/C16H33N9O5/c1-8(26)11(17)13(28)24-9(4-2-6-22-15(18)19)12(27)25-10(14(29)30)5-3-7-23-16(20)21/h8-11,26H,2-7,17H2,1H3,(H,24,28)(H,25,27)(H,29,30)(H4,18,19,22)(H4,20,21,23)/t8-,9+,10+,11+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H33N9O5/c1-8(26)11(17)13(28)24-9(4-2-6-22-15(18)19)12(27)25-10(14(29)30)5-3-7-23-16(20)21/h8-11,26H,2-7,17H2,1H3,(H,24,28)(H,25,27)(H,29,30)(H4,18,19,22)(H4,20,21,23)/t8-,9+,10+,11+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:11]([C:13](=[N:24][C@@H:9]([CH2:4][CH2:2][CH2:6][NH:22][C:15](=[NH:18])[NH2:19])[C:12](=[N:25][C@@H:10]([CH2:5][CH2:3][CH2:7][NH:23][C:16](=[NH:20])[NH2:21])[C:14](=[O:29])[OH:30])[OH:27])[OH:28])[NH2:17])[OH:26] |
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