| Properties | Image |
|---|
| MNX_ID | MNXM1125127 |
 |
| reference | chebi:162537 |
| formula | C20H26N6O6 |
| global charge | 0 |
| mol weight | 446.464 |
| InChIKey | RNPGPFAVRLERPP-QEJZJMRPSA-N |
| InChI | InChI=1S/C20H26N6O6/c21-12(5-6-16(22)27)18(29)25-14(19(30)26-15(20(31)32)8-17(23)28)7-10-9-24-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,24H,5-8,21H2,(H2,22,27)(H2,23,28)(H,25,29)(H,26,30)(H,31,32)/t12-,14-,15-/m0/s1 |
| SMILES | NC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H26N6O6/c21-12(5-6-16(22)27)18(29)25-14(19(30)26-15(20(31)32)8-17(23)28)7-10-9-24-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,24H,5-8,21H2,(H2,22,27)(H2,23,28)(H,25,29)(H,26,30)(H,31,32)/t12-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]2[C:11](=[CH:3]1)[C:10]([CH2:7][C@@H:14]([C:19](=[N:26][C@@H:15]([CH2:8][C:17](=[NH:23])[OH:28])[C:20](=[O:31])[OH:32])[OH:30])[N:25]=[C:18]([C@H:12]([CH2:5][CH2:6][C:16](=[NH:22])[OH:27])[NH2:21])[OH:29])=[CH:9][NH:24]2 |
|