[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)propanoate

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)propanoate Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-ureidopropanoate CAS Name: 3-(carbamoylamino)propanoic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)propanoate Traditional Name: 3-ureidopropionic acid [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H18FN3O4 MolecularWeight: 311.308823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCNC(=O)N)F

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN3O4/c1-8-3-4-10(7-11(8)15)18-13(20)9(2)22-12(19)5-6-17-14(16)21/h3-4,7,9H,5-6H2,1-2H3,(H,18,20)(H3,16,17,21)/t9-/m0/s1