| Properties | Image |
| MNX_ID | MNXM1123458 |
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| reference | chebi:160859 |
| formula | C13H25N3O4S |
| global charge | 0 |
| mol weight | 319.427 |
| InChIKey | HZVXPUHLTZRQEL-UWVGGRQHSA-N |
| InChI | InChI=1S/C13H25N3O4S/c1-8(2)6-10(13(20)15-7-11(17)18)16-12(19)9(14)4-5-21-3/h8-10H,4-7,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)/t9-,10-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O4S/c1-8(2)6-10(13(20)15-7-11(17)18)16-12(19)9(14)4-5-21-3/h8-10H,4-7,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)/t9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:6][C@@H:10]([C:13](=[N:15][CH2:7][C:11](=[O:17])[OH:18])[OH:20])[N:16]=[C:12]([C@H:9]([CH2:4][CH2:5][S:21][CH3:3])[NH2:14])[OH:19] |
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