| Properties | Image |
|---|
| MNX_ID | MNXM1121327 |
 |
| reference | chebi:158715 |
| formula | C20H29N7O4 |
| global charge | 0 |
| mol weight | 431.497 |
| InChIKey | OLDOLPWZEMHNIA-PJODQICGSA-N |
| InChI | InChI=1S/C20H29N7O4/c1-11(26-18(29)14(21)6-4-8-24-20(22)23)17(28)27-16(19(30)31)9-12-10-25-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,16,25H,4,6,8-9,21H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H4,22,23,24)/t11-,14-,16-/m0/s1 |
| SMILES | C[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/C20H29N7O4/c1-11(26-18(29)14(21)6-4-8-24-20(22)23)17(28)27-16(19(30)31)9-12-10-25-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,16,25H,4,6,8-9,21H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H4,22,23,24)/t11-,14-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:17](=[N:27][C@@H:16]([CH2:9][C:12]1=[CH:10][NH:25][C:15]2=[CH:7][CH:3]=[CH:2][CH:5]=[C:13]12)[C:19](=[O:30])[OH:31])[OH:28])[N:26]=[C:18]([C@H:14]([CH2:6][CH2:4][CH2:8][NH:24][C:20](=[NH:22])[NH2:23])[NH2:21])[OH:29] |
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