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

Systemtic Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-butylanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-butyrate Formula: C16H23N2O3- MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-4-5-6-12-7-9-13(10-8-12)17-16(21)18-14(11(2)3)15(19)20/h7-11,14H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21)/p-1/t14-/m0/s1