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

Systemtic Name: 3-[[1-[2-[(4-methoxyphenyl)carbonylamino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(4-methoxybenzoyl)amino]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(4-methoxybenzoyl)amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[2-methyl-2-(p-anisoylamino)propanoyl]prolyl]amino]butyric acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7/c1-21(2,23-18(28)13-6-8-15(31-3)9-7-13)20(30)24-10-4-5-16(24)19(29)22-14(12-25)11-17(26)27/h6-9,12,14,16H,4-5,10-11H2,1-3H3,(H,22,29)(H,23,28)(H,26,27)