2-[2-azanylethanoyl-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid; pyrrolidine-2-carboxamide

Systemtic Name: 2-[2-azanylethanoyl-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid; pyrrolidine-2-carboxamide Openeye Name: 2-[(2-aminoacetyl)-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid; pyrrolidine-2-carboxamide CAS Name: 2-[(2-amino-1-oxoethyl)-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid; 2-pyrrolidinecarboxamide IUPAC Name: 2-[(2-aminoacetyl)-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid; pyrrolidine-2-carboxamide Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]-glycyl-amino]-3-phenyl-propionic acid; pyrrolidine-2-carboxamide Formula: C25H29FN4O5 MolecularWeight: 484.519963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N.C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)CN)C(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

C1CC(NC1)C(=O)N.C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)CN)C(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C20H19FN2O4.C5H10N2O/c21-16-9-6-14(7-10-16)8-11-18(24)23(19(25)13-22)17(20(26)27)12-15-4-2-1-3-5-15;6-5(8)4-2-1-3-7-4/h1-11,17H,12-13,22H2,(H,26,27);4,7H,1-3H2,(H2,6,8)/b11-8+;