| Properties | Image |
| MNX_ID | MNXM1124117 |
 |
| reference | chebi:161519 |
| formula | C15H30N4O4S |
| global charge | 0 |
| mol weight | 362.496 |
| InChIKey | YXPNKXFOBHRUBL-BJDJZHNGSA-N |
| InChI | InChI=1S/C15H30N4O4S/c1-3-9(2)12(15(22)23)19-14(21)11(6-4-5-7-16)18-13(20)10(17)8-24/h9-12,24H,3-8,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H30N4O4S/c1-3-9(2)12(15(22)23)19-14(21)11(6-4-5-7-16)18-13(20)10(17)8-24/h9-12,24H,3-8,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:9]([CH3:2])[C@@H:12]([C:15](=[O:22])[OH:23])[N:19]=[C:14]([C@H:11]([CH2:6][CH2:4][CH2:5][CH2:7][NH2:16])[N:18]=[C:13]([C@H:10]([CH2:8][SH:24])[NH2:17])[OH:20])[OH:21] |
|