(2S)-1-[2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-benzamido-3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-benzamido-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]propanoyl]proline Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCC(C(=O)N2CCCC2C(=O)O)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NCC(C(=O)N2CCC[C@H]2C(=O)O)NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H22ClN5O4/c1-12-10-16(21)25-20(23-12)22-11-14(24-17(27)13-6-3-2-4-7-13)18(28)26-9-5-8-15(26)19(29)30/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3,(H,24,27)(H,29,30)(H,22,23,25)/t14?,15-/m0/s1