| Properties | Image |
|---|
| MNX_ID | MNXM1123699 |
 |
| reference | chebi:161101 |
| formula | C15H25N5O5S |
| global charge | 0 |
| mol weight | 387.462 |
| InChIKey | KZKVVWBOGDKHKE-QTKMDUPCSA-N |
| InChI | InChI=1S/C15H25N5O5S/c1-8(21)12(20-13(22)10(16)3-4-26-2)14(23)19-11(15(24)25)5-9-6-17-7-18-9/h6-8,10-12,21H,3-5,16H2,1-2H3,(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t8-,10+,11+,12+/m1/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C15H25N5O5S/c1-8(21)12(20-13(22)10(16)3-4-26-2)14(23)19-11(15(24)25)5-9-6-17-7-18-9/h6-8,10-12,21H,3-5,16H2,1-2H3,(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t8-,10+,11+,12+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:12]([C:14](=[N:19][C@@H:11]([CH2:5][C:9]1=[CH:6][N:17]=[CH:7][NH:18]1)[C:15](=[O:24])[OH:25])[OH:23])[N:20]=[C:13]([C@H:10]([CH2:3][CH2:4][S:26][CH3:2])[NH2:16])[OH:22])[OH:21] |
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