tert-butyl 4-[(2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30FN3O4 MolecularWeight: 407.479003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H30FN3O4/c1-14(2)17(23-18(26)15-6-8-16(22)9-7-15)19(27)24-10-12-25(13-11-24)20(28)29-21(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,23,26)/t17-/m0/s1