| Properties | Image |
| MNX_ID | MNXM1122434 |
 |
| reference | chebi:159827 |
| formula | C13H25N5O5S |
| global charge | 0 |
| mol weight | 363.44 |
| InChIKey | XTONYTDATVADQH-CIUDSAMLSA-N |
| InChI | InChI=1S/C13H25N5O5S/c14-4-2-1-3-7(15)11(20)18-9(6-24)12(21)17-8(13(22)23)5-10(16)19/h7-9,24H,1-6,14-15H2,(H2,16,19)(H,17,21)(H,18,20)(H,22,23)/t7-,8-,9-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N5O5S/c14-4-2-1-3-7(15)11(20)18-9(6-24)12(21)17-8(13(22)23)5-10(16)19/h7-9,24H,1-6,14-15H2,(H2,16,19)(H,17,21)(H,18,20)(H,22,23)/t7-,8-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:14])[CH2:3][C@@H:7]([C:11](=[N:18][C@@H:9]([CH2:6][SH:24])[C:12](=[N:17][C@@H:8]([CH2:5][C:10](=[NH:16])[OH:19])[C:13](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:15] |
|