| Properties | Image |
|---|
| MNX_ID | MNXM1121706 |
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| reference | chebi:159095 |
| formula | C18H32N8O4 |
| global charge | 0 |
| mol weight | 424.506 |
| InChIKey | WMEVEPXNCMKNGH-IHRRRGAJSA-N |
| InChI | InChI=1S/C18H32N8O4/c1-10(2)6-13(25-15(27)12(19)4-3-5-23-18(20)21)16(28)26-14(17(29)30)7-11-8-22-9-24-11/h8-10,12-14H,3-7,19H2,1-2H3,(H,22,24)(H,25,27)(H,26,28)(H,29,30)(H4,20,21,23)/t12-,13-,14-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H32N8O4/c1-10(2)6-13(25-15(27)12(19)4-3-5-23-18(20)21)16(28)26-14(17(29)30)7-11-8-22-9-24-11/h8-10,12-14H,3-7,19H2,1-2H3,(H,22,24)(H,25,27)(H,26,28)(H,29,30)(H4,20,21,23)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:6][C@@H:13]([C:16](=[N:26][C@@H:14]([CH2:7][C:11]1=[CH:8][N:22]=[CH:9][NH:24]1)[C:17](=[O:29])[OH:30])[OH:28])[N:25]=[C:15]([C@H:12]([CH2:4][CH2:3][CH2:5][NH:23][C:18](=[NH:20])[NH2:21])[NH2:19])[OH:27] |
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