3-[[1-(2-benzamido-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-(2-benzamido-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-(2-benzamido-3-methyl-butanoyl)pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-(2-benzamido-3-methyl-1-oxobutyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-(2-benzamido-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-(2-benzamido-3-methyl-butanoyl)prolyl]amino]-4-keto-butyric acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-13(2)18(23-19(28)14-7-4-3-5-8-14)21(30)24-10-6-9-16(24)20(29)22-15(12-25)11-17(26)27/h3-5,7-8,12-13,15-16,18H,6,9-11H2,1-2H3,(H,22,29)(H,23,28)(H,26,27)