| Properties | Image |
|---|
| MNX_ID | MNXM1122803 |
 |
| reference | chebi:160199 |
| formula | C19H29N7O6 |
| global charge | 0 |
| mol weight | 451.484 |
| InChIKey | QIRJQYQOIKBPBZ-IHRRRGAJSA-N |
| InChI | InChI=1S/C19H29N7O6/c20-12(9-15(21)28)16(29)26-14(8-10-3-5-11(27)6-4-10)17(30)25-13(18(31)32)2-1-7-24-19(22)23/h3-6,12-14,27H,1-2,7-9,20H2,(H2,21,28)(H,25,30)(H,26,29)(H,31,32)(H4,22,23,24)/t12-,13-,14-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H29N7O6/c20-12(9-15(21)28)16(29)26-14(8-10-3-5-11(27)6-4-10)17(30)25-13(18(31)32)2-1-7-24-19(22)23/h3-6,12-14,27H,1-2,7-9,20H2,(H2,21,28)(H,25,30)(H,26,29)(H,31,32)(H4,22,23,24)/t12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:13]([C:18](=[O:31])[OH:32])[N:25]=[C:17]([C@H:14]([CH2:8][C:10]1=[CH:4][CH:6]=[C:11]([OH:27])[CH:5]=[CH:3]1)[N:26]=[C:16]([C@H:12]([CH2:9][C:15](=[NH:21])[OH:28])[NH2:20])[OH:29])[OH:30])[CH2:7][NH:24][C:19](=[NH:22])[NH2:23] |
|