methyl (2S)-3-(1H-imidazol-5-yl)-2-(3-pyrrol-1-ylpropanoylamino)propanoate

Systemtic Name: methyl (2S)-3-(1H-imidazol-5-yl)-2-(3-pyrrol-1-ylpropanoylamino)propanoate Openeye Name: methyl (2S)-3-(1H-imidazol-5-yl)-2-(3-pyrrol-1-ylpropanoylamino)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[1-oxo-3-(1-pyrrolyl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-imidazol-5-yl)-2-(3-pyrrol-1-ylpropanoylamino)propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-pyrrol-1-ylpropanoylamino)propionic acid methyl ester Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)CCN2C=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CN=CN1)NC(=O)CCN2C=CC=C2

InChI

InChI=1S/C14H18N4O3/c1-21-14(20)12(8-11-9-15-10-16-11)17-13(19)4-7-18-5-2-3-6-18/h2-3,5-6,9-10,12H,4,7-8H2,1H3,(H,15,16)(H,17,19)/t12-/m0/s1