| Properties | Image |
|---|
| MNX_ID | MNXM46002 |
 |
| reference | keggD:D07652 |
| formula | C23H24N6O5S2 |
| global charge | 0 |
| mol weight | 528.616 |
| InChIKey | YWKJNRNSJKEFMK-PQFQYKRASA-N |
| InChI | InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16-/t17-,21-/m1/s1 |
| SMILES | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3=CC=CC4=C3CCCC4)CS[C@H]12)C1=CSC(N)=N1 |
MNX internals
| InChI (mnx) | InChI=1/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16-/t17-,21-/m1/s1 |
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| SMILES (mnx) | [CH3:1][O:34]/[N:27]=[C:16]([C:14]1=[CH:11][S:36][C:23](=[NH:24])[NH:25]1)\[C:19](=[N:26]\[C@@H:17]1[C:20](=[O:31])[N:29]2[C:18]([C:22](=[O:32])[O-:33])=[C:13]([CH2:9][N+:28]3=[C:15]4[CH2:7][CH2:3][CH2:2][CH2:5][C:12]4=[CH:6][CH:4]=[CH:8]3)[CH2:10][S:35][C@H:21]12)[OH:30] |
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