4-ethanoyl-4-nitroso-1-[2-(4-phenylbutan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-ethanoyl-4-nitroso-1-[2-(4-phenylbutan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-acetyl-1-[2-[(1-methyl-3-phenyl-propyl)amino]propanoyl]-4-nitroso-pyrrolidine-2-carboxylic acid CAS Name: 4-acetyl-4-nitroso-1-[1-oxo-2-(4-phenylbutan-2-ylamino)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-acetyl-4-nitroso-1-[2-(4-phenylbutan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-acetyl-1-[2-[(1-methyl-3-phenyl-propyl)amino]propanoyl]-4-nitroso-proline Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)(C(=O)C)N=O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)(C(=O)C)N=O

InChI

InChI=1S/C20H27N3O5/c1-13(9-10-16-7-5-4-6-8-16)21-14(2)18(25)23-12-20(22-28,15(3)24)11-17(23)19(26)27/h4-8,13-14,17,21H,9-12H2,1-3H3,(H,26,27)