| Properties | Image |
| MNX_ID | MNXM1127190 |
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| reference | chebi:164609 |
| formula | C18H31N5O4 |
| global charge | 0 |
| mol weight | 381.477 |
| InChIKey | YAALVYQFVJNXIV-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H31N5O4/c1-10(2)5-14(17(25)23-15(18(26)27)6-11(3)4)22-16(24)13(19)7-12-8-20-9-21-12/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H31N5O4/c1-10(2)5-14(17(25)23-15(18(26)27)6-11(3)4)22-16(24)13(19)7-12-8-20-9-21-12/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:5][C@@H:14]([C:17](=[N:23][C@@H:15]([CH2:6][CH:11]([CH3:3])[CH3:4])[C:18](=[O:26])[OH:27])[OH:25])[N:22]=[C:16]([C@H:13]([CH2:7][C:12]1=[CH:8][N:20]=[CH:9][NH:21]1)[NH2:19])[OH:24] |
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