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

Systemtic Name: 3-[[1-[2-[(4-hydroxyphenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(4-hydroxybenzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-hydroxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(4-hydroxybenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-[(4-hydroxybenzoyl)amino]-3-methyl-butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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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=C(C=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7/c1-12(2)18(23-19(29)13-5-7-15(26)8-6-13)21(31)24-9-3-4-16(24)20(30)22-14(11-25)10-17(27)28/h5-8,11-12,14,16,18,26H,3-4,9-10H2,1-2H3,(H,22,30)(H,23,29)(H,27,28)