| Properties | Image |
|---|
| MNX_ID | MNXM1121606 |
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| reference | chebi:158994 |
| formula | C19H27N7O4 |
| global charge | 0 |
| mol weight | 417.47 |
| InChIKey | VRZDJJWOFXMFRO-ZFWWWQNUSA-N |
| InChI | InChI=1S/C19H27N7O4/c20-13(5-3-7-23-19(21)22)17(28)25-10-16(27)26-15(18(29)30)8-11-9-24-14-6-2-1-4-12(11)14/h1-2,4,6,9,13,15,24H,3,5,7-8,10,20H2,(H,25,28)(H,26,27)(H,29,30)(H4,21,22,23)/t13-,15-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N7O4/c20-13(5-3-7-23-19(21)22)17(28)25-10-16(27)26-15(18(29)30)8-11-9-24-14-6-2-1-4-12(11)14/h1-2,4,6,9,13,15,24H,3,5,7-8,10,20H2,(H,25,28)(H,26,27)(H,29,30)(H4,21,22,23)/t13-,15-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:14]2[C:12](=[CH:4]1)[C:11]([CH2:8][C@@H:15]([C:18](=[O:29])[OH:30])[N:26]=[C:16]([CH2:10][N:25]=[C:17]([C@H:13]([CH2:5][CH2:3][CH2:7][NH:23][C:19](=[NH:21])[NH2:22])[NH2:20])[OH:28])[OH:27])=[CH:9][NH:24]2 |
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