methyl (2S)-3-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-2-[(triphenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-2-[(triphenylmethyl)amino]propanoate Openeye Name: methyl (2S)-3-(4-acetamido-2-oxo-pyrimidin-1-yl)-2-(tritylamino)propanoate CAS Name: (2S)-3-(4-acetamido-2-oxo-1-pyrimidinyl)-2-[(triphenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-acetamido-2-oxopyrimidin-1-yl)-2-(tritylamino)propanoate Traditional Name: (2S)-3-(4-acetamido-2-keto-pyrimidin-1-yl)-2-(tritylamino)propionic acid methyl ester Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)CC(C(=O)OC)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)C[C@@H](C(=O)OC)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O4/c1-21(34)30-26-18-19-33(28(36)31-26)20-25(27(35)37-2)32-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19,25,32H,20H2,1-2H3,(H,30,31,34,36)/t25-/m0/s1