methyl 2-[[(2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[(2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoate CAS Name: 2-[[(2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoate Traditional Name: 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-valeric acid methyl ester Formula: C19H27FN2O4 MolecularWeight: 366.427083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1F

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C1=CC=CC=C1F

InChI

InChI=1S/C19H27FN2O4/c1-6-12(4)16(19(25)26-5)22-18(24)15(11(2)3)21-17(23)13-9-7-8-10-14(13)20/h7-12,15-16H,6H2,1-5H3,(H,21,23)(H,22,24)/t12?,15-,16?/m0/s1