| Properties | Image |
|---|
| MNX_ID | MNXM1123420 |
 |
| reference | chebi:160821 |
| formula | C17H29N5O4S |
| global charge | 0 |
| mol weight | 399.517 |
| InChIKey | NLHSFJQUHGCWSD-PYJNHQTQSA-N |
| InChI | InChI=1S/C17H29N5O4S/c1-4-10(2)14(22-15(23)12(18)5-6-27-3)16(24)21-13(17(25)26)7-11-8-19-9-20-11/h8-10,12-14H,4-7,18H2,1-3H3,(H,19,20)(H,21,24)(H,22,23)(H,25,26)/t10-,12-,13-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H29N5O4S/c1-4-10(2)14(22-15(23)12(18)5-6-27-3)16(24)21-13(17(25)26)7-11-8-19-9-20-11/h8-10,12-14H,4-7,18H2,1-3H3,(H,19,20)(H,21,24)(H,22,23)(H,25,26)/t10-,12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:10]([CH3:2])[C@@H:14]([C:16](=[N:21][C@@H:13]([CH2:7][C:11]1=[CH:8][N:19]=[CH:9][NH:20]1)[C:17](=[O:25])[OH:26])[OH:24])[N:22]=[C:15]([C@H:12]([CH2:5][CH2:6][S:27][CH3:3])[NH2:18])[OH:23] |
|