methyl (2S)-3-oxidanyl-2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(1-benzyl-3-phenyl-pyrazole-4-carbonyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzyl-3-phenylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(1-benzyl-3-phenyl-pyrazole-4-carbonyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-28-21(27)18(14-25)22-20(26)17-13-24(12-15-8-4-2-5-9-15)23-19(17)16-10-6-3-7-11-16/h2-11,13,18,25H,12,14H2,1H3,(H,22,26)/t18-/m0/s1