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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)NC1=C(C=C(C=C1)Cl)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)NC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C14H19ClN2O3/c1-4-8(2)12(13(18)19)17-14(20)16-11-6-5-10(15)7-9(11)3/h5-8,12H,4H2,1-3H3,(H,18,19)(H2,16,17,20)/p-1/t8-,12-/m0/s1