1-[2-[[3-chloranyl-4-(propanoylamino)phenyl]carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[3-chloranyl-4-(propanoylamino)phenyl]carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-chloro-4-(propanoylamino)benzoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[[3-chloro-4-(1-oxopropylamino)phenyl]-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[3-chloro-4-(propanoylamino)benzoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-chloro-4-propionamido-benzoyl)amino]propanoyl]proline Formula: C18H22ClN3O5 MolecularWeight: 395.83738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)C(=O)NC(C)C(=O)N2CCCC2C(=O)O)Cl

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)C(=O)NC(C)C(=O)N2CCCC2C(=O)O)Cl

InChI

InChI=1S/C18H22ClN3O5/c1-3-15(23)21-13-7-6-11(9-12(13)19)16(24)20-10(2)17(25)22-8-4-5-14(22)18(26)27/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,20,24)(H,21,23)(H,26,27)