| Properties | Image |
| MNX_ID | MNXM1124017 |
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| reference | chebi:161419 |
| formula | C14H23N5O4S |
| global charge | 0 |
| mol weight | 357.436 |
| InChIKey | PJWIPBIMSKJTIE-DCAQKATOSA-N |
| InChI | InChI=1S/C14H23N5O4S/c1-7(2)11(14(22)23)19-13(21)10(3-8-4-16-6-17-8)18-12(20)9(15)5-24/h4,6-7,9-11,24H,3,5,15H2,1-2H3,(H,16,17)(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H23N5O4S/c1-7(2)11(14(22)23)19-13(21)10(3-8-4-16-6-17-8)18-12(20)9(15)5-24/h4,6-7,9-11,24H,3,5,15H2,1-2H3,(H,16,17)(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[C@@H:11]([C:14](=[O:22])[OH:23])[N:19]=[C:13]([C@H:10]([CH2:3][C:8]1=[CH:4][N:16]=[CH:6][NH:17]1)[N:18]=[C:12]([C@H:9]([CH2:5][SH:24])[NH2:15])[OH:20])[OH:21] |
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