2-[[3-(1H-imidazol-5-yl)-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-(1H-imidazol-5-yl)-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(1H-imidazol-5-yl)-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(1H-imidazol-5-yl)-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(1H-imidazol-5-yl)-2-(prolylamino)propanoyl]amino]-3-phenyl-propionic acid Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H25N5O4/c26-18(15-7-4-8-22-15)24-16(10-14-11-21-12-23-14)19(27)25-17(20(28)29)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,15-17,22H,4,7-10H2,(H,21,23)(H,24,26)(H,25,27)(H,28,29)