1-[2-[(butanoylamino)-(3-chloranyl-4-methyl-phenyl)carbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(butanoylamino)-(3-chloranyl-4-methyl-phenyl)carbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(butanoylamino)-(3-chloro-4-methyl-benzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(3-chloro-4-methylphenyl)-oxomethyl]-(1-oxobutylamino)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(butanoylamino)-(3-chloro-4-methylbenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[butyramido-(3-chloro-4-methyl-benzoyl)amino]propanoyl]proline Formula: C20H26ClN3O5 MolecularWeight: 423.89054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NN(C(C)C(=O)N1CCCC1C(=O)O)C(=O)C2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCC(=O)NN(C(C)C(=O)N1CCCC1C(=O)O)C(=O)C2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C20H26ClN3O5/c1-4-6-17(25)22-24(19(27)14-9-8-12(2)15(21)11-14)13(3)18(26)23-10-5-7-16(23)20(28)29/h8-9,11,13,16H,4-7,10H2,1-3H3,(H,22,25)(H,28,29)