| Properties | Image |
|---|
| MNX_ID | MNXM744749 |
 |
| reference | biggM:hisphearg |
| formula | C21H31N8O4 |
| global charge | 1 |
| mol weight | 459.531 |
| InChIKey | AYUOWUNWZGTNKB-ZACQAIPSSA-O |
| InChI | InChI=1S/C21H30N8O4/c22-15(10-14-11-25-12-27-14)18(30)29-17(9-13-5-2-1-3-6-13)19(31)28-16(20(32)33)7-4-8-26-21(23)24/h1-3,5-6,11-12,15-17H,4,7-10,22H2,(H,25,27)(H,28,31)(H,29,30)(H,32,33)(H4,23,24,26)/p+1/t15-,16-,17+/m1/s1 |
| SMILES | NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CNC=N1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H30N8O4/c22-15(10-14-11-25-12-27-14)18(30)29-17(9-13-5-2-1-3-6-13)19(31)28-16(20(32)33)7-4-8-26-21(23)24/h1-3,5-6,11-12,15-17H,4,7-10,22H2,(H,25,27)(H,28,31)(H,29,30)(H,32,33)(H4,23,24,26)/t15-,16-,17+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:13]([CH2:9][C@@H:17]([C:19](=[N:28][C@H:16]([CH2:7][CH2:4][CH2:8][NH:26][C:21](=[NH:23])[NH2:24])[C:20](=[O:32])[OH:33])[OH:31])[N:29]=[C:18]([C@@H:15]([CH2:10][C:14]2=[CH:11][N:25]=[CH:12][NH:27]2)[NH2:22])[OH:30])[CH:6]=[CH:3]1 |
|