[[(2S)-3-[2-[(1-azanyl-2-fluoranyl-ethylidene)amino]ethoxy]-2-methyl-1-[methyl(1,3-thiazol-5-yl)amino]-1-oxidanylidene-propan-2-yl]amino]methanesulfonic acid

Systemtic Name: [[(2S)-3-[2-[(1-azanyl-2-fluoranyl-ethylidene)amino]ethoxy]-2-methyl-1-[methyl(1,3-thiazol-5-yl)amino]-1-oxidanylidene-propan-2-yl]amino]methanesulfonic acid Openeye Name: [[(1S)-1-[2-[(1-amino-2-fluoro-ethylidene)amino]ethoxymethyl]-1-methyl-2-[methyl(thiazol-5-yl)amino]-2-oxo-ethyl]amino]methanesulfonic acid CAS Name: [[(2S)-3-[2-[(1-amino-2-fluoroethylidene)amino]ethoxy]-2-methyl-1-[methyl(5-thiazolyl)amino]-1-oxopropan-2-yl]amino]methanesulfonic acid IUPAC Name: [[(2S)-3-[2-[(1-amino-2-fluoroethylidene)amino]ethoxy]-2-methyl-1-[methyl(1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]amino]methanesulfonic acid Traditional Name: [[(1S)-1-[2-[(1-amino-2-fluoro-ethylidene)amino]ethoxymethyl]-2-keto-1-methyl-2-[methyl(thiazol-5-yl)amino]ethyl]amino]methanesulfonic acid Formula: C13H22FN5O5S2 MolecularWeight: 411.472683

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCCN=C(CF)N)(C(=O)N(C)C1=CN=CS1)NCS(=O)(=O)O

Isomeric SMILES

C[C@](COCCN=C(CF)N)(C(=O)N(C)C1=CN=CS1)NCS(=O)(=O)O

InChI

InChI=1S/C13H22FN5O5S2/c1-13(18-9-26(21,22)23,7-24-4-3-17-10(15)5-14)12(20)19(2)11-6-16-8-25-11/h6,8,18H,3-5,7,9H2,1-2H3,(H2,15,17)(H,21,22,23)/t13-/m0/s1