[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 5-amino-2-[(4-fluorobenzoyl)amino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[(4-fluorophenyl)-oxomethyl]amino]-5-oxopentanoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate Traditional Name: 5-amino-2-[(4-fluorobenzoyl)amino]-5-keto-valeric acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C(CCC(=O)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C(CCC(=O)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FN3O5/c1-13-4-2-3-5-16(13)24-19(27)12-30-21(29)17(10-11-18(23)26)25-20(28)14-6-8-15(22)9-7-14/h2-9,17H,10-12H2,1H3,(H2,23,26)(H,24,27)(H,25,28)