| Properties | Image |
|---|
| MNX_ID | MNXM1122572 |
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| reference | chebi:159966 |
| formula | C14H25N5O6S |
| global charge | 0 |
| mol weight | 391.45 |
| InChIKey | UYRPHDGXHKBZHJ-CIUDSAMLSA-N |
| InChI | InChI=1S/C14H25N5O6S/c1-26-5-4-8(18-12(22)7(15)6-11(17)21)13(23)19-9(14(24)25)2-3-10(16)20/h7-9H,2-6,15H2,1H3,(H2,16,20)(H2,17,21)(H,18,22)(H,19,23)(H,24,25)/t7-,8-,9-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N5O6S/c1-26-5-4-8(18-12(22)7(15)6-11(17)21)13(23)19-9(14(24)25)2-3-10(16)20/h7-9H,2-6,15H2,1H3,(H2,16,20)(H2,17,21)(H,18,22)(H,19,23)(H,24,25)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:26][CH2:5][CH2:4][C@@H:8]([C:13](=[N:19][C@@H:9]([CH2:2][CH2:3][C:10](=[NH:16])[OH:20])[C:14](=[O:24])[OH:25])[OH:23])[N:18]=[C:12]([C@H:7]([CH2:6][C:11](=[NH:17])[OH:21])[NH2:15])[OH:22] |
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