| Properties | Image |
|---|
| MNX_ID | MNXM1122738 |
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| reference | chebi:160133 |
| formula | C14H22N6O6 |
| global charge | 0 |
| mol weight | 370.366 |
| InChIKey | YHXNKGKUDJCAHB-PBCZWWQYSA-N |
| InChI | InChI=1S/C14H22N6O6/c1-6(21)11(20-12(23)8(15)3-10(16)22)13(24)19-9(14(25)26)2-7-4-17-5-18-7/h4-6,8-9,11,21H,2-3,15H2,1H3,(H2,16,22)(H,17,18)(H,19,24)(H,20,23)(H,25,26)/t6-,8+,9+,11+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H22N6O6/c1-6(21)11(20-12(23)8(15)3-10(16)22)13(24)19-9(14(25)26)2-7-4-17-5-18-7/h4-6,8-9,11,21H,2-3,15H2,1H3,(H2,16,22)(H,17,18)(H,19,24)(H,20,23)(H,25,26)/t6-,8+,9+,11+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:11]([C:13](=[N:19][C@@H:9]([CH2:2][C:7]1=[CH:4][N:17]=[CH:5][NH:18]1)[C:14](=[O:25])[OH:26])[OH:24])[N:20]=[C:12]([C@H:8]([CH2:3][C:10](=[NH:16])[OH:22])[NH2:15])[OH:23])[OH:21] |
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