(2S)-2-azanyl-3-[[4-(4-chlorophenyl)-3-methyl-phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[[4-(4-chlorophenyl)-3-methyl-phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-amino-3-[[4-(4-chlorophenyl)-3-methyl-benzoyl]amino]propanoic acid CAS Name: (2S)-2-amino-3-[[[4-(4-chlorophenyl)-3-methylphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-amino-3-[[4-(4-chlorophenyl)-3-methylbenzoyl]amino]propanoic acid Traditional Name: (2S)-2-amino-3-[[4-(4-chlorophenyl)-3-methyl-benzoyl]amino]propionic acid Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(C(=O)O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC[C@@H](C(=O)O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O3/c1-10-8-12(16(21)20-9-15(19)17(22)23)4-7-14(10)11-2-5-13(18)6-3-11/h2-8,15H,9,19H2,1H3,(H,20,21)(H,22,23)/t15-/m0/s1