| Properties | Image |
|---|
| MNX_ID | MNXM1124330 |
 |
| reference | chebi:161734 |
| formula | C18H24N4O5S |
| global charge | 0 |
| mol weight | 408.48 |
| InChIKey | FANFRJOFTYCNRG-JYBASQMISA-N |
| InChI | InChI=1S/C18H24N4O5S/c1-9(23)15(22-16(24)12(19)8-28)17(25)21-14(18(26)27)6-10-7-20-13-5-3-2-4-11(10)13/h2-5,7,9,12,14-15,20,23,28H,6,8,19H2,1H3,(H,21,25)(H,22,24)(H,26,27)/t9-,12+,14+,15+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N4O5S/c1-9(23)15(22-16(24)12(19)8-28)17(25)21-14(18(26)27)6-10-7-20-13-5-3-2-4-11(10)13/h2-5,7,9,12,14-15,20,23,28H,6,8,19H2,1H3,(H,21,25)(H,22,24)(H,26,27)/t9-,12+,14+,15+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:15]([C:17](=[N:21][C@@H:14]([CH2:6][C:10]1=[CH:7][NH:20][C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]12)[C:18](=[O:26])[OH:27])[OH:25])[N:22]=[C:16]([C@H:12]([CH2:8][SH:28])[NH2:19])[OH:24])[OH:23] |
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