(2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylmethyl)pyrazol-3-yl]propanoic acid

Systemtic Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylmethyl)pyrazol-3-yl]propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(1-benzylpyrazol-3-yl)propanoic acid CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylmethyl)-3-pyrazolyl]propanoic acid IUPAC Name: (2S)-3-(1-benzylpyrazol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1-benzylpyrazol-3-yl)propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=N2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=N2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c25-20(26)19(22-21(27)28-15-17-9-5-2-6-10-17)13-18-11-12-24(23-18)14-16-7-3-1-4-8-16/h1-12,19H,13-15H2,(H,22,27)(H,25,26)/t19-/m0/s1