| Properties | Image |
| MNX_ID | MNXM168819 |
 |
| reference | sabiorkM:28850 |
| formula | C13H20N4O4S |
| global charge | 0 |
| mol weight | 328.394 |
| InChIKey | KFNRNFXZFIRNEO-NSHDSACASA-N |
| InChI | InChI=1S/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)/t11-/m0/s1 |
| SMILES | CC1=CC=C(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)/t11-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[CH:5][CH:7]=[C:10]([S:22]([NH:17][C@@H:11]([CH2:3][CH2:2][CH2:8][NH:16][C:13](=[NH:14])[NH2:15])[C:12](=[O:18])[OH:19])(=[O:20])=[O:21])[CH:6]=[CH:4]1 |
|