(2S)-3-[2-oxidanylidene-5-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[2-oxidanylidene-5-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[2-oxo-5-phenyl-4-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-1-yl]propanoic acid CAS Name: (2S)-3-[2-oxo-5-phenyl-4-[4-(2-pyridinyl)-1-piperazinyl]-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[2-oxo-5-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[2-keto-5-phenyl-4-[4-(2-pyridyl)piperazino]pyrimidin-1-yl]propionic acid Formula: C30H30N6O5 MolecularWeight: 554.5964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC(=O)N(C=C3C4=CC=CC=C4)CC(C(=O)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC(=O)N(C=C3C4=CC=CC=C4)C[C@@H](C(=O)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H30N6O5/c37-28(38)25(32-30(40)41-21-22-9-3-1-4-10-22)20-36-19-24(23-11-5-2-6-12-23)27(33-29(36)39)35-17-15-34(16-18-35)26-13-7-8-14-31-26/h1-14,19,25H,15-18,20-21H2,(H,32,40)(H,37,38)/t25-/m0/s1