| Properties | Image |
|---|
| MNX_ID | MNXM1123284 |
 |
| reference | chebi:160685 |
| formula | C16H25N5O6 |
| global charge | 0 |
| mol weight | 383.405 |
| InChIKey | OEDJQRXNDRUGEU-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H25N5O6/c1-8(2)3-11(20-14(24)10(17)5-13(22)23)15(25)21-12(16(26)27)4-9-6-18-7-19-9/h6-8,10-12H,3-5,17H2,1-2H3,(H,18,19)(H,20,24)(H,21,25)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H25N5O6/c1-8(2)3-11(20-14(24)10(17)5-13(22)23)15(25)21-12(16(26)27)4-9-6-18-7-19-9/h6-8,10-12H,3-5,17H2,1-2H3,(H,18,19)(H,20,24)(H,21,25)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:3][C@@H:11]([C:15](=[N:21][C@@H:12]([CH2:4][C:9]1=[CH:6][N:18]=[CH:7][NH:19]1)[C:16](=[O:26])[OH:27])[OH:25])[N:20]=[C:14]([C@H:10]([CH2:5][C:13](=[O:22])[OH:23])[NH2:17])[OH:24] |
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