| Properties | Image |
| MNX_ID | MNXM1127229 |
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| reference | chebi:164649 |
| formula | C18H32N6O4 |
| global charge | 0 |
| mol weight | 396.492 |
| InChIKey | UXSATKFPUVZVDK-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H32N6O4/c1-11(2)7-15(18(27)28)24-17(26)14(5-3-4-6-19)23-16(25)13(20)8-12-9-21-10-22-12/h9-11,13-15H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H32N6O4/c1-11(2)7-15(18(27)28)24-17(26)14(5-3-4-6-19)23-16(25)13(20)8-12-9-21-10-22-12/h9-11,13-15H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:7][C@@H:15]([C:18](=[O:27])[OH:28])[N:24]=[C:17]([C@H:14]([CH2:5][CH2:3][CH2:4][CH2:6][NH2:19])[N:23]=[C:16]([C@H:13]([CH2:8][C:12]1=[CH:9][N:21]=[CH:10][NH:22]1)[NH2:20])[OH:25])[OH:26] |
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