| Properties | Image |
|---|
| MNX_ID | MNXM1121524 |
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| reference | chebi:158912 |
| formula | C15H29N7O6 |
| global charge | 0 |
| mol weight | 403.44 |
| InChIKey | YHQGEARSFILVHL-HJGDQZAQSA-N |
| InChI | InChI=1S/C15H29N7O6/c1-7(23)11(14(27)28)22-13(26)9(4-5-10(17)24)21-12(25)8(16)3-2-6-20-15(18)19/h7-9,11,23H,2-6,16H2,1H3,(H2,17,24)(H,21,25)(H,22,26)(H,27,28)(H4,18,19,20)/t7-,8+,9+,11+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H29N7O6/c1-7(23)11(14(27)28)22-13(26)9(4-5-10(17)24)21-12(25)8(16)3-2-6-20-15(18)19/h7-9,11,23H,2-6,16H2,1H3,(H2,17,24)(H,21,25)(H,22,26)(H,27,28)(H4,18,19,20)/t7-,8+,9+,11+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]([C@@H:11]([C:14](=[O:27])[OH:28])[N:22]=[C:13]([C@H:9]([CH2:4][CH2:5][C:10](=[NH:17])[OH:24])[N:21]=[C:12]([C@H:8]([CH2:3][CH2:2][CH2:6][NH:20][C:15](=[NH:18])[NH2:19])[NH2:16])[OH:25])[OH:26])[OH:23] |
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