| Properties | Image |
|---|
| MNX_ID | MNXM744647 |
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| reference | biggM:aspasnglu |
| formula | C13H18N4O9 |
| global charge | -2 |
| mol weight | 374.306 |
| InChIKey | ZELQAFZSJOBEQS-QYNIQEEDSA-L |
| InChI | InChI=1S/C13H20N4O9/c14-5(3-10(21)22)11(23)17-7(4-8(15)18)12(24)16-6(13(25)26)1-2-9(19)20/h5-7H,1-4,14H2,(H2,15,18)(H,16,24)(H,17,23)(H,19,20)(H,21,22)(H,25,26)/p-2/t5-,6-,7+/m1/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H20N4O9/c14-5(3-10(21)22)11(23)17-7(4-8(15)18)12(24)16-6(13(25)26)1-2-9(19)20/h5-7H,1-4,14H2,(H2,15,18)(H,16,24)(H,17,23)(H,19,20)(H,21,22)(H,25,26)/t5-,6-,7+/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:9](=[O:19])[OH:20])[C@H:6]([C:13](=[O:25])[OH:26])[N:16]=[C:12]([C@H:7]([CH2:4][C:8](=[NH:15])[OH:18])[N:17]=[C:11]([C@@H:5]([CH2:3][C:10](=[O:21])[OH:22])[NH2:14])[OH:23])[OH:24] |
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