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

Systemtic Name: methyl 1-[3-methyl-2-[2-(phenoxycarbonylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-methyl-2-[2-(phenoxycarbonylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-methyl-1-oxo-2-[[1-oxo-2-[[oxo(phenoxy)methyl]amino]propyl]amino]butyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-methyl-2-[2-(phenoxycarbonylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[2-(carbophenoxyamino)propanoylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-13(2)17(19(26)24-12-8-11-16(24)20(27)29-4)23-18(25)14(3)22-21(28)30-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,8,11-12H2,1-4H3,(H,22,28)(H,23,25)