| Properties | Image |
| MNX_ID | MNXM1123943 |
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| reference | chebi:161345 |
| formula | C9H16N4O5S |
| global charge | 0 |
| mol weight | 292.317 |
| InChIKey | BSFFNUBDVYTDMV-WHFBIAKZSA-N |
| InChI | InChI=1S/C9H16N4O5S/c10-4(3-19)8(16)12-2-7(15)13-5(9(17)18)1-6(11)14/h4-5,19H,1-3,10H2,(H2,11,14)(H,12,16)(H,13,15)(H,17,18)/t4-,5-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H16N4O5S/c10-4(3-19)8(16)12-2-7(15)13-5(9(17)18)1-6(11)14/h4-5,19H,1-3,10H2,(H2,11,14)(H,12,16)(H,13,15)(H,17,18)/t4-,5-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:5]([C:9](=[O:17])[OH:18])[N:13]=[C:7]([CH2:2][N:12]=[C:8]([C@H:4]([CH2:3][SH:19])[NH2:10])[OH:16])[OH:15])[C:6](=[NH:11])[OH:14] |
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