methyl (2S)-1-[(2S)-3-phenyl-2-[2-(1H-pyrrol-3-yl)ethanoylamino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-3-phenyl-2-[2-(1H-pyrrol-3-yl)ethanoylamino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-3-phenyl-2-[[2-(1H-pyrrol-3-yl)acetyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-1-oxo-2-[[1-oxo-2-(1H-pyrrol-3-yl)ethyl]amino]-3-phenylpropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-3-phenyl-2-[[2-(1H-pyrrol-3-yl)acetyl]amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-phenyl-2-[[2-(1H-pyrrol-3-yl)acetyl]amino]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)CC3=CNC=C3

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CC3=CNC=C3

InChI

InChI=1S/C21H25N3O4/c1-28-21(27)18-8-5-11-24(18)20(26)17(12-15-6-3-2-4-7-15)23-19(25)13-16-9-10-22-14-16/h2-4,6-7,9-10,14,17-18,22H,5,8,11-13H2,1H3,(H,23,25)/t17-,18-/m0/s1