[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C15H20FN3O4S MolecularWeight: 357.400403

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC1=CC=CC=C1F)NC(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)NCC1=CC=CC=C1F)NC(=O)N

InChI

InChI=1S/C15H20FN3O4S/c1-24-7-6-12(19-15(17)22)14(21)23-9-13(20)18-8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H,18,20)(H3,17,19,22)/t12-/m0/s1