dipropan-2-yl (2S,4S)-2-fluoranyl-4-[[4-methyl-5-(methylamino)thiophen-2-yl]carbonylamino]pentanedioate

Systemtic Name: dipropan-2-yl (2S,4S)-2-fluoranyl-4-[[4-methyl-5-(methylamino)thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diisopropyl (2S,4S)-2-fluoro-4-[[4-methyl-5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S,4S)-2-fluoro-4-[[[4-methyl-5-(methylamino)-2-thiophenyl]-oxomethyl]amino]pentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (2S,4S)-2-fluoro-4-[[4-methyl-5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S,4S)-2-fluoro-4-[[4-methyl-5-(methylamino)thiophene-2-carbonyl]amino]glutaric acid diisopropyl ester Formula: C18H27FN2O5S MolecularWeight: 402.480783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NC(CC(C(=O)OC(C)C)F)C(=O)OC(C)C)NC

Isomeric SMILES

CC1=C(SC(=C1)C(=O)N[C@@H](C[C@@H](C(=O)OC(C)C)F)C(=O)OC(C)C)NC

InChI

InChI=1S/C18H27FN2O5S/c1-9(2)25-17(23)12(19)8-13(18(24)26-10(3)4)21-15(22)14-7-11(5)16(20-6)27-14/h7,9-10,12-13,20H,8H2,1-6H3,(H,21,22)/t12-,13-/m0/s1