[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H28FN3O5 MolecularWeight: 409.451823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1F

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C1=CC=CC=C1F

InChI

InChI=1S/C20H28FN3O5/c1-12(2)9-10-22-20(28)23-16(25)11-29-19(27)17(13(3)4)24-18(26)14-7-5-6-8-15(14)21/h5-8,12-13,17H,9-11H2,1-4H3,(H,24,26)(H2,22,23,25,28)/t17-/m0/s1