| Properties | Image |
|---|
| MNX_ID | MNXM1122070 |
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| reference | chebi:159459 |
| formula | C17H27N5O4 |
| global charge | 0 |
| mol weight | 365.434 |
| InChIKey | MUCIDQMDOYQYBR-IHRRRGAJSA-N |
| InChI | InChI=1S/C17H27N5O4/c1-10(2)6-12(18)16(24)22-5-3-4-14(22)15(23)21-13(17(25)26)7-11-8-19-9-20-11/h8-10,12-14H,3-7,18H2,1-2H3,(H,19,20)(H,21,23)(H,25,26)/t12-,13-,14-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H27N5O4/c1-10(2)6-12(18)16(24)22-5-3-4-14(22)15(23)21-13(17(25)26)7-11-8-19-9-20-11/h8-10,12-14H,3-7,18H2,1-2H3,(H,19,20)(H,21,23)(H,25,26)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:6][C@@H:12]([C:16]([N:22]1[CH2:5][CH2:3][CH2:4][C@H:14]1[C:15](=[N:21][C@@H:13]([CH2:7][C:11]1=[CH:8][N:19]=[CH:9][NH:20]1)[C:17](=[O:25])[OH:26])[OH:23])=[O:24])[NH2:18] |
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