| Properties | Image |
|---|
| MNX_ID | MNXM1121526 |
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| reference | chebi:158914 |
| formula | C22H32N8O5 |
| global charge | 0 |
| mol weight | 488.549 |
| InChIKey | BQBPFMNVOWDLHO-XIRDDKMYSA-N |
| InChI | InChI=1S/C22H32N8O5/c23-14(5-3-9-27-22(25)26)19(32)29-16(7-8-18(24)31)20(33)30-17(21(34)35)10-12-11-28-15-6-2-1-4-13(12)15/h1-2,4,6,11,14,16-17,28H,3,5,7-10,23H2,(H2,24,31)(H,29,32)(H,30,33)(H,34,35)(H4,25,26,27)/t14-,16-,17-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H32N8O5/c23-14(5-3-9-27-22(25)26)19(32)29-16(7-8-18(24)31)20(33)30-17(21(34)35)10-12-11-28-15-6-2-1-4-13(12)15/h1-2,4,6,11,14,16-17,28H,3,5,7-10,23H2,(H2,24,31)(H,29,32)(H,30,33)(H,34,35)(H4,25,26,27)/t14-,16-,17-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:15]2[C:13](=[CH:4]1)[C:12]([CH2:10][C@@H:17]([C:21](=[O:34])[OH:35])[N:30]=[C:20]([C@H:16]([CH2:7][CH2:8][C:18](=[NH:24])[OH:31])[N:29]=[C:19]([C@H:14]([CH2:5][CH2:3][CH2:9][NH:27][C:22](=[NH:25])[NH2:26])[NH2:23])[OH:32])[OH:33])=[CH:11][NH:28]2 |
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