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

Systemtic Name: (2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methyl-pentanoic acid Openeye Name: (2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methyl-pentanoic acid CAS Name: (2S)-2-[[(4-ethylanilino)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanoic acid Traditional Name: (2S)-2-[(4-ethylphenyl)carbamoylamino]-3-methyl-valeric acid Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-4-10(3)13(14(18)19)17-15(20)16-12-8-6-11(5-2)7-9-12/h6-10,13H,4-5H2,1-3H3,(H,18,19)(H2,16,17,20)/t10?,13-/m0/s1