| Properties | Image |
| MNX_ID | MNXM1128118 |
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| reference | chebi:166157 |
| formula | C13H24N4O5S |
| global charge | 0 |
| mol weight | 348.425 |
| InChIKey | LMSBRIVOCYOKMU-NRPADANISA-N |
| InChI | InChI=1S/C13H24N4O5S/c1-6(2)10(15)12(20)16-7(3-4-9(14)18)11(19)17-8(5-23)13(21)22/h6-8,10,23H,3-5,15H2,1-2H3,(H2,14,18)(H,16,20)(H,17,19)(H,21,22)/t7-,8-,10-/m0/s1 |
| SMILES | CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H24N4O5S/c1-6(2)10(15)12(20)16-7(3-4-9(14)18)11(19)17-8(5-23)13(21)22/h6-8,10,23H,3-5,15H2,1-2H3,(H2,14,18)(H,16,20)(H,17,19)(H,21,22)/t7-,8-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[C@@H:10]([C:12](=[N:16][C@@H:7]([CH2:3][CH2:4][C:9](=[NH:14])[OH:18])[C:11](=[N:17][C@@H:8]([CH2:5][SH:23])[C:13](=[O:21])[OH:22])[OH:19])[OH:20])[NH2:15] |
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