| Properties | Image |
|---|
| MNX_ID | MNXM153255 |
 |
| reference | keggD:D03430 |
| formula | C19H18ClN5O7S3 |
| global charge | 0 |
| mol weight | 560.035 |
| InChIKey | KEQFDTJEEQKVLM-JUODUXDSSA-N |
| InChI | InChI=1S/C19H17N5O7S3.ClH/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);1H/b23-11-;/t12-,16-;/m1./s1 |
| SMILES | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)C3=CC=CO3)CS[C@H]12)C1=CSC(N)=N1.Cl |
MNX internals
| InChI (mnx) | InChI=1/C19H17N5O7S3.ClH/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);1H/b23-11-;/t12-,16-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][O:30]/[N:23]=[C:11]([C:9]1=[CH:7][S:34][C:19](=[NH:20])[NH:21]1)\[C:14](=[N:22]\[C@@H:12]1[C:15](=[O:26])[N:24]2[C:13]([C:17](=[O:27])[OH:28])=[C:8]([CH2:6][S:33][C:18]([C:10]3=[CH:3][CH:2]=[CH:4][O:31]3)=[O:29])[CH2:5][S:32][C@H:16]12)[OH:25].[ClH:35] |
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