methyl (2S)-2-[[5-(hydroxymethyl)-1H-pyrrol-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[5-(hydroxymethyl)-1H-pyrrol-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-(hydroxymethyl)-1H-pyrrole-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-(hydroxymethyl)-1H-pyrrol-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(hydroxymethyl)-1H-pyrrole-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(5-methylol-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(N2)CO

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(N2)CO

InChI

InChI=1S/C16H18N2O4/c1-22-16(21)14(9-11-5-3-2-4-6-11)18-15(20)13-8-7-12(10-19)17-13/h2-8,14,17,19H,9-10H2,1H3,(H,18,20)/t14-/m0/s1