| Properties | Image |
|---|
| MNX_ID | MNXM1123894 |
 |
| reference | chebi:161296 |
| formula | C21H34N6O4 |
| global charge | 0 |
| mol weight | 434.541 |
| InChIKey | LGBVMDMZZFYSFW-HJWJTTGWSA-N |
| InChI | InChI=1S/C21H34N6O4/c1-3-13(2)17(20(30)31)27-19(29)16(10-7-11-25-21(23)24)26-18(28)15(22)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12,22H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,23,24,25)/t13-,15-,16-,17-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H34N6O4/c1-3-13(2)17(20(30)31)27-19(29)16(10-7-11-25-21(23)24)26-18(28)15(22)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12,22H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,23,24,25)/t13-,15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:13]([CH3:2])[C@@H:17]([C:20](=[O:30])[OH:31])[N:27]=[C:19]([C@H:16]([CH2:10][CH2:7][CH2:11][NH:25][C:21](=[NH:23])[NH2:24])[N:26]=[C:18]([C@H:15]([CH2:12][C:14]1=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]1)[NH2:22])[OH:28])[OH:29] |
|