(2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethylanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methyl-butyrate Formula: C14H19N2O3- MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-4-10-5-7-11(8-6-10)15-14(19)16-12(9(2)3)13(17)18/h5-9,12H,4H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t12-/m0/s1