| Properties | Image |
| MNX_ID | MNXM1122264 |
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| reference | chebi:159656 |
| formula | C13H25N5O5S |
| global charge | 0 |
| mol weight | 363.44 |
| InChIKey | YQNBILXAUIAUCF-CIUDSAMLSA-N |
| InChI | InChI=1S/C13H25N5O5S/c14-4-2-1-3-8(13(22)23)17-12(21)9(6-24)18-11(20)7(15)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](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N5O5S/c14-4-2-1-3-8(13(22)23)17-12(21)9(6-24)18-11(20)7(15)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 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:14])[CH2:3][C@@H:8]([C:13](=[O:22])[OH:23])[N:17]=[C:12]([C@H:9]([CH2:6][SH:24])[N:18]=[C:11]([C@H:7]([CH2:5][C:10](=[NH:16])[OH:19])[NH2:15])[OH:20])[OH:21] |
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