| Properties | Image |
|---|
| MNX_ID | MNXM1120594 |
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| reference | chebi:157975 |
| formula | C20H29N7O4 |
| global charge | 0 |
| mol weight | 431.497 |
| InChIKey | DWINFPQUSSHSFS-UVBJJODRSA-N |
| InChI | InChI=1S/C20H29N7O4/c1-11(21)17(28)26-15(7-4-8-24-20(22)23)18(29)27-16(19(30)31)9-12-10-25-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-16,25H,4,7-9,21H2,1H3,(H,26,28)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,15-,16-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H29N7O4/c1-11(21)17(28)26-15(7-4-8-24-20(22)23)18(29)27-16(19(30)31)9-12-10-25-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-16,25H,4,7-9,21H2,1H3,(H,26,28)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:17](=[N:26][C@@H:15]([CH2:7][CH2:4][CH2:8][NH:24][C:20](=[NH:22])[NH2:23])[C:18](=[N:27][C@@H:16]([CH2:9][C:12]1=[CH:10][NH:25][C:14]2=[CH:6][CH:3]=[CH:2][CH:5]=[C:13]12)[C:19](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:21] |
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