| Properties | Image |
|---|
| MNX_ID | MNXM1123124 |
 |
| reference | chebi:160524 |
| formula | C20H32N6O5S |
| global charge | 0 |
| mol weight | 468.58 |
| InChIKey | PJWDQHNOJIBMRY-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H32N6O5S/c1-32-10-8-14(21)17(28)25-15(3-2-9-24-20(22)23)18(29)26-16(19(30)31)11-12-4-6-13(27)7-5-12/h4-7,14-16,27H,2-3,8-11,21H2,1H3,(H,25,28)(H,26,29)(H,30,31)(H4,22,23,24)/t14-,15-,16-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N6O5S/c1-32-10-8-14(21)17(28)25-15(3-2-9-24-20(22)23)18(29)26-16(19(30)31)11-12-4-6-13(27)7-5-12/h4-7,14-16,27H,2-3,8-11,21H2,1H3,(H,25,28)(H,26,29)(H,30,31)(H4,22,23,24)/t14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:32][CH2:10][CH2:8][C@@H:14]([C:17](=[N:25][C@@H:15]([CH2:3][CH2:2][CH2:9][NH:24][C:20](=[NH:22])[NH2:23])[C:18](=[N:26][C@@H:16]([CH2:11][C:12]1=[CH:5][CH:7]=[C:13]([OH:27])[CH:6]=[CH:4]1)[C:19](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:21] |
|