| Properties | Image |
|---|
| MNX_ID | MNXM1122611 |
 |
| reference | chebi:160005 |
| formula | C18H25N5O6 |
| global charge | 0 |
| mol weight | 407.427 |
| InChIKey | ZVUMKOMKQCANOM-AVGNSLFASA-N |
| InChI | InChI=1S/C18H25N5O6/c19-11(9-15(21)25)16(26)23-13(8-10-4-2-1-3-5-10)17(27)22-12(18(28)29)6-7-14(20)24/h1-5,11-13H,6-9,19H2,(H2,20,24)(H2,21,25)(H,22,27)(H,23,26)(H,28,29)/t11-,12-,13-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H25N5O6/c19-11(9-15(21)25)16(26)23-13(8-10-4-2-1-3-5-10)17(27)22-12(18(28)29)6-7-14(20)24/h1-5,11-13H,6-9,19H2,(H2,20,24)(H2,21,25)(H,22,27)(H,23,26)(H,28,29)/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:8][C@@H:13]([C:17](=[N:22][C@@H:12]([CH2:6][CH2:7][C:14](=[NH:20])[OH:24])[C:18](=[O:28])[OH:29])[OH:27])[N:23]=[C:16]([C@H:11]([CH2:9][C:15](=[NH:21])[OH:25])[NH2:19])[OH:26])[CH:5]=[CH:3]1 |
|