(2S)-1-[(Z)-2-benzamido-3-[[3,5-bis(bromanyl)pyridin-2-yl]amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(Z)-2-benzamido-3-[[3,5-bis(bromanyl)pyridin-2-yl]amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(Z)-2-benzamido-3-[(3,5-dibromo-2-pyridyl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(Z)-2-benzamido-3-[(3,5-dibromo-2-pyridinyl)amino]-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(Z)-2-benzamido-3-[(3,5-dibromopyridin-2-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(Z)-2-benzamido-3-[(3,5-dibromo-2-pyridyl)amino]acryloyl]proline Formula: C20H18Br2N4O4 MolecularWeight: 538.18932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(=CNC2=C(C=C(C=N2)Br)Br)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C(=C/NC2=C(C=C(C=N2)Br)Br)/NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18Br2N4O4/c21-13-9-14(22)17(23-10-13)24-11-15(25-18(27)12-5-2-1-3-6-12)19(28)26-8-4-7-16(26)20(29)30/h1-3,5-6,9-11,16H,4,7-8H2,(H,23,24)(H,25,27)(H,29,30)/b15-11-/t16-/m0/s1