(2S)-2-[(4-chloranyl-2-methyl-phenyl)carbamoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(4-chloranyl-2-methyl-phenyl)carbamoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(4-chloro-2-methyl-phenyl)carbamoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(4-chloro-2-methylanilino)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(4-chloro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(4-chloro-2-methyl-phenyl)carbamoylamino]-4-methyl-valeric acid Formula: C14H19ClN2O3 MolecularWeight: 298.76526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C14H19ClN2O3/c1-8(2)6-12(13(18)19)17-14(20)16-11-5-4-10(15)7-9(11)3/h4-5,7-8,12H,6H2,1-3H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1