| Properties | Image |
|---|
| MNX_ID | MNXM1127032 |
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| reference | chebi:164449 |
| formula | C19H27N7O4 |
| global charge | 0 |
| mol weight | 417.47 |
| InChIKey | SCQBNMKLZVCXNX-ZFWWWQNUSA-N |
| InChI | InChI=1S/C19H27N7O4/c20-13(8-11-9-24-14-5-2-1-4-12(11)14)17(29)26-15(6-3-7-23-19(21)22)18(30)25-10-16(27)28/h1-2,4-5,9,13,15,24H,3,6-8,10,20H2,(H,25,30)(H,26,29)(H,27,28)(H4,21,22,23)/t13-,15-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N7O4/c20-13(8-11-9-24-14-5-2-1-4-12(11)14)17(29)26-15(6-3-7-23-19(21)22)18(30)25-10-16(27)28/h1-2,4-5,9,13,15,24H,3,6-8,10,20H2,(H,25,30)(H,26,29)(H,27,28)(H4,21,22,23)/t13-,15-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:14]2[C:12](=[CH:4]1)[C:11]([CH2:8][C@@H:13]([C:17](=[N:26][C@@H:15]([CH2:6][CH2:3][CH2:7][NH:23][C:19](=[NH:21])[NH2:22])[C:18](=[N:25][CH2:10][C:16](=[O:27])[OH:28])[OH:30])[OH:29])[NH2:20])=[CH:9][NH:24]2 |
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