2-[2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]propanoyl-pyrimidin-2-yl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]propanoyl-pyrimidin-2-yl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[(2-ethoxy-1-methyl-2-oxo-ethyl)amino]propanoyl-pyrimidin-2-yl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-1-oxopropyl]-(2-pyrimidinyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoyl-pyrimidin-2-ylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[(2-ethoxy-2-keto-1-methyl-ethyl)amino]propanoyl-(2-pyrimidyl)amino]-3-phenyl-propionic acid Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(C)C(=O)N(C1=NC=CC=N1)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C(C)NC(C)C(=O)N(C1=NC=CC=N1)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26N4O5/c1-4-30-20(29)15(3)24-14(2)18(26)25(21-22-11-8-12-23-21)17(19(27)28)13-16-9-6-5-7-10-16/h5-12,14-15,17,24H,4,13H2,1-3H3,(H,27,28)