3-[2-[3-[3-(4-hydroxyphenyl)propanoylamino]-2-oxidanylidene-azepan-1-yl]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[3-[3-(4-hydroxyphenyl)propanoylamino]-2-oxidanylidene-azepan-1-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[3-[3-(4-hydroxyphenyl)propanoylamino]-2-oxo-azepan-1-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[3-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-oxo-1-azepanyl]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[3-[3-(4-hydroxyphenyl)propanoylamino]-2-oxoazepan-1-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[3-[3-(4-hydroxyphenyl)propanoylamino]-2-keto-azepan-1-yl]acetyl]amino]-4-keto-butyric acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)CCC2=CC=C(C=C2)O)CC(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)CCC2=CC=C(C=C2)O)CC(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C21H27N3O7/c25-13-15(11-20(29)30)22-19(28)12-24-10-2-1-3-17(21(24)31)23-18(27)9-6-14-4-7-16(26)8-5-14/h4-5,7-8,13,15,17,26H,1-3,6,9-12H2,(H,22,28)(H,23,27)(H,29,30)