(2S,3S)-2-[(2-ethyl-6-methyl-phenyl)carbamoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(2-ethyl-6-methyl-phenyl)carbamoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(2-ethyl-6-methyl-phenyl)carbamoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2-ethyl-6-methylanilino)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(2-ethyl-6-methylphenyl)carbamoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(2-ethyl-6-methyl-phenyl)carbamoylamino]-3-methyl-valerate Formula: C16H23N2O3- MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)NC(C(C)CC)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N[C@@H]([C@@H](C)CC)C(=O)[O-])C

InChI

InChI=1S/C16H24N2O3/c1-5-10(3)14(15(19)20)18-16(21)17-13-11(4)8-7-9-12(13)6-2/h7-10,14H,5-6H2,1-4H3,(H,19,20)(H2,17,18,21)/p-1/t10-,14-/m0/s1