| Properties | Image |
|---|
| MNX_ID | MNXM174161 |
 |
| reference | chebi:131764 |
| formula | C23H24N6O7S2 |
| global charge | 0 |
| mol weight | 560.614 |
| InChIKey | BGLHAKAJGYLSOX-JOCHJYFZSA-N |
| InChI | InChI=1S/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35)/t22-/m1/s1 |
| SMILES | COC1=CC=C(NS(=O)(=O)C2=CC=C(N[C@@H](C3=C(C)N(C)N(C4=CC=CC=C4)C3=O)S(=O)(=O)O)C=C2)N=N1 |
MNX internals
| InChI (mnx) | InChI=1/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35)/t22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15]1=[C:21]([C@H:22]([NH:24][C:16]2=[CH:10][CH:12]=[C:18]([S:37]([NH:27][C:19]3=[N:25][N:26]=[C:20]([O:36][CH3:3])[CH:14]=[CH:13]3)(=[O:31])=[O:32])[CH:11]=[CH:9]2)[S:38]([OH:33])(=[O:34])=[O:35])[C:23](=[O:30])[N:29]([C:17]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)[N:28]1[CH3:2] |
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