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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-[(4-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=C(C=C1)F)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NCC1=CC=C(C=C1)F)NC(=O)N

InChI

InChI=1S/C15H20FN3O4S/c1-24-7-6-12(19-15(17)22)14(21)23-9-13(20)18-8-10-2-4-11(16)5-3-10/h2-5,12H,6-9H2,1H3,(H,18,20)(H3,17,19,22)/t12-/m1/s1