| Properties | Image |
|---|
| MNX_ID | MNXM1126990 |
 |
| reference | chebi:164407 |
| formula | C17H28N6O5 |
| global charge | 0 |
| mol weight | 396.448 |
| InChIKey | NNBWMLHQXBTIIT-HVTMNAMFSA-N |
| InChI | InChI=1S/C17H28N6O5/c1-3-9(2)14(17(27)28)23-16(26)12(4-5-13(19)24)22-15(25)11(18)6-10-7-20-8-21-10/h7-9,11-12,14H,3-6,18H2,1-2H3,(H2,19,24)(H,20,21)(H,22,25)(H,23,26)(H,27,28)/t9-,11-,12-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H28N6O5/c1-3-9(2)14(17(27)28)23-16(26)12(4-5-13(19)24)22-15(25)11(18)6-10-7-20-8-21-10/h7-9,11-12,14H,3-6,18H2,1-2H3,(H2,19,24)(H,20,21)(H,22,25)(H,23,26)(H,27,28)/t9-,11-,12-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:9]([CH3:2])[C@@H:14]([C:17](=[O:27])[OH:28])[N:23]=[C:16]([C@H:12]([CH2:4][CH2:5][C:13](=[NH:19])[OH:24])[N:22]=[C:15]([C@H:11]([CH2:6][C:10]1=[CH:7][N:20]=[CH:8][NH:21]1)[NH2:18])[OH:25])[OH:26] |
|