(2S)-2-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-4-methyl-valerate Formula: C14H18ClN2O3- MolecularWeight: 297.75732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(CC(C)C)C(=O)[O-])Cl

Isomeric SMILES

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

InChI

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