| Properties | Image |
| MNX_ID | MNXM1123859 |
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| reference | chebi:161261 |
| formula | C11H21N3O4S2 |
| global charge | 0 |
| mol weight | 323.44 |
| InChIKey | HNNGTYHNYDOSKV-FXQIFTODSA-N |
| InChI | InChI=1S/C11H21N3O4S2/c1-5(2)8(11(17)18)14-10(16)7(4-20)13-9(15)6(12)3-19/h5-8,19-20H,3-4,12H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t6-,7-,8-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O4S2/c1-5(2)8(11(17)18)14-10(16)7(4-20)13-9(15)6(12)3-19/h5-8,19-20H,3-4,12H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:8]([C:11](=[O:17])[OH:18])[N:14]=[C:10]([C@H:7]([CH2:4][SH:20])[N:13]=[C:9]([C@H:6]([CH2:3][SH:19])[NH2:12])[OH:15])[OH:16] |
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