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

Systemtic Name: 1-[2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(4-amino-3-chloro-benzoyl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-amino-3-chloro-benzoyl)amino]-3,3-dimethyl-butanoyl]proline Formula: C18H24ClN3O4 MolecularWeight: 381.85386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O4/c1-18(2,3)14(16(24)22-8-4-5-13(22)17(25)26)21-15(23)10-6-7-12(20)11(19)9-10/h6-7,9,13-14H,4-5,8,20H2,1-3H3,(H,21,23)(H,25,26)