| Properties | Image |
| MNX_ID | MNXM1123288 |
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| reference | chebi:160689 |
| formula | C14H24N4O7S |
| global charge | 0 |
| mol weight | 392.434 |
| InChIKey | AETNZPKUUYYYEK-CIUDSAMLSA-N |
| InChI | InChI=1S/C14H24N4O7S/c1-26-5-4-7(15)12(22)17-8(2-3-11(20)21)13(23)18-9(14(24)25)6-10(16)19/h7-9H,2-6,15H2,1H3,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H24N4O7S/c1-26-5-4-7(15)12(22)17-8(2-3-11(20)21)13(23)18-9(14(24)25)6-10(16)19/h7-9H,2-6,15H2,1H3,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:26][CH2:5][CH2:4][C@@H:7]([C:12](=[N:17][C@@H:8]([CH2:2][CH2:3][C:11](=[O:20])[OH:21])[C:13](=[N:18][C@@H:9]([CH2:6][C:10](=[NH:16])[OH:19])[C:14](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:15] |
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