1-[3-methyl-2-[2-(phenoxycarbonylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methyl-2-[2-(phenoxycarbonylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-methyl-2-[2-(phenoxycarbonylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-methyl-1-oxo-2-[[1-oxo-2-[[oxo(phenoxy)methyl]amino]propyl]amino]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-methyl-2-[2-(phenoxycarbonylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-(carbophenoxyamino)propanoylamino]-3-methyl-butanoyl]proline Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(C)NC(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(C)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O6/c1-12(2)16(18(25)23-11-7-10-15(23)19(26)27)22-17(24)13(3)21-20(28)29-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,7,10-11H2,1-3H3,(H,21,28)(H,22,24)(H,26,27)