[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=C(C(=CC=C1)Cl)N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)OC(=O)C1=C(C(=CC=C1)Cl)N)C2=CC=CC=C2

InChI

InChI=1S/C19H21ClN2O3/c1-12(14-7-4-3-5-8-14)11-22-18(23)13(2)25-19(24)15-9-6-10-16(20)17(15)21/h3-10,12-13H,11,21H2,1-2H3,(H,22,23)/t12-,13+/m1/s1