[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O5/c1-18(2)29-22(13-14-26-29)28-23(30)17-33-24(31)21(15-19-9-5-3-6-10-19)27-25(32)34-16-20-11-7-4-8-12-20/h3-14,18,21H,15-17H2,1-2H3,(H,27,32)(H,28,30)/t21-/m0/s1