| Properties | Image |
| MNX_ID | MNXM1124001 |
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| reference | chebi:161403 |
| formula | C15H26N6O4S |
| global charge | 0 |
| mol weight | 386.478 |
| InChIKey | HAYVLBZZBDCKRA-SRVKXCTJSA-N |
| InChI | InChI=1S/C15H26N6O4S/c16-4-2-1-3-11(15(24)25)20-14(23)12(5-9-6-18-8-19-9)21-13(22)10(17)7-26/h6,8,10-12,26H,1-5,7,16-17H2,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t10-,11-,12-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H26N6O4S/c16-4-2-1-3-11(15(24)25)20-14(23)12(5-9-6-18-8-19-9)21-13(22)10(17)7-26/h6,8,10-12,26H,1-5,7,16-17H2,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:16])[CH2:3][C@@H:11]([C:15](=[O:24])[OH:25])[N:20]=[C:14]([C@H:12]([CH2:5][C:9]1=[CH:6][N:18]=[CH:8][NH:19]1)[N:21]=[C:13]([C@H:10]([CH2:7][SH:26])[NH2:17])[OH:22])[OH:23] |
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