| Properties | Image |
| MNX_ID | MNXM1124653 |
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| reference | chebi:162058 |
| formula | C13H24N4O5S |
| global charge | 0 |
| mol weight | 348.425 |
| InChIKey | ZDJZEGYVKANKED-NRPADANISA-N |
| InChI | InChI=1S/C13H24N4O5S/c1-6(2)10(13(21)22)17-12(20)8(5-23)16-11(19)7(14)3-4-9(15)18/h6-8,10,23H,3-5,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t7-,8-,10-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H24N4O5S/c1-6(2)10(13(21)22)17-12(20)8(5-23)16-11(19)7(14)3-4-9(15)18/h6-8,10,23H,3-5,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t7-,8-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[C@@H:10]([C:13](=[O:21])[OH:22])[N:17]=[C:12]([C@H:8]([CH2:5][SH:23])[N:16]=[C:11]([C@H:7]([CH2:3][CH2:4][C:9](=[NH:15])[OH:18])[NH2:14])[OH:19])[OH:20] |
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