1-[2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(4-amino-3-chloro-benzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(4-amino-3-chlorobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-amino-3-chloro-benzoyl)amino]-3-methyl-butanoyl]proline Formula: C17H22ClN3O4 MolecularWeight: 367.82728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC(=C(C=C2)N)Cl

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC(=C(C=C2)N)Cl

InChI

InChI=1S/C17H22ClN3O4/c1-9(2)14(16(23)21-7-3-4-13(21)17(24)25)20-15(22)10-5-6-12(19)11(18)8-10/h5-6,8-9,13-14H,3-4,7,19H2,1-2H3,(H,20,22)(H,24,25)