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

Systemtic Name: 3-[[1-[2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(4-hexoxybenzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-hexoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(4-hexoxybenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-[(4-hexoxybenzoyl)amino]-3-methyl-butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C27H39N3O7 MolecularWeight: 517.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C27H39N3O7/c1-4-5-6-7-15-37-21-12-10-19(11-13-21)25(34)29-24(18(2)3)27(36)30-14-8-9-22(30)26(35)28-20(17-31)16-23(32)33/h10-13,17-18,20,22,24H,4-9,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,32,33)