methyl (2S)-2-(2-azanylethanoylamino)-3-[4-(2-phenylethynyl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-(2-azanylethanoylamino)-3-[4-(2-phenylethynyl)phenyl]propanoate Openeye Name: methyl (2S)-2-[(2-aminoacetyl)amino]-3-[4-(2-phenylethynyl)phenyl]propanoate CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-3-[4-(2-phenylethynyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-aminoacetyl)amino]-3-[4-(2-phenylethynyl)phenyl]propanoate Traditional Name: (2S)-2-(glycylamino)-3-[4-(2-phenylethynyl)phenyl]propionic acid methyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C20H20N2O3/c1-25-20(24)18(22-19(23)14-21)13-17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-6,9-12,18H,13-14,21H2,1H3,(H,22,23)/t18-/m0/s1