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

Systemtic Name: 3-[[1-[2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C25H35N3O6 MolecularWeight: 473.5619

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O6/c1-15(2)21(27-22(32)16-8-10-17(11-9-16)25(3,4)5)24(34)28-12-6-7-19(28)23(33)26-18(14-29)13-20(30)31/h8-11,14-15,18-19,21H,6-7,12-13H2,1-5H3,(H,26,33)(H,27,32)(H,30,31)