| Properties | Image |
|---|
| MNX_ID | MNXM1120597 |
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| reference | chebi:157978 |
| formula | C15H23N5O7 |
| global charge | 0 |
| mol weight | 385.377 |
| InChIKey | DQZCEKQPSOBNMJ-NKIYYHGXSA-N |
| InChI | InChI=1S/C15H23N5O7/c1-7(21)12(14(25)19-10(15(26)27)2-3-11(22)23)20-13(24)9(16)4-8-5-17-6-18-8/h5-7,9-10,12,21H,2-4,16H2,1H3,(H,17,18)(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t7-,9+,10+,12+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H23N5O7/c1-7(21)12(14(25)19-10(15(26)27)2-3-11(22)23)20-13(24)9(16)4-8-5-17-6-18-8/h5-7,9-10,12,21H,2-4,16H2,1H3,(H,17,18)(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t7-,9+,10+,12+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]([C@@H:12]([C:14](=[N:19][C@@H:10]([CH2:2][CH2:3][C:11](=[O:22])[OH:23])[C:15](=[O:26])[OH:27])[OH:25])[N:20]=[C:13]([C@H:9]([CH2:4][C:8]1=[CH:5][N:17]=[CH:6][NH:18]1)[NH2:16])[OH:24])[OH:21] |
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