4-oxidanylidene-3-[2-[2-oxidanylidene-6-(phenylmethyl)-3-(3-phenylpropanoylamino)pyridin-1-yl]ethanoylamino]hexanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-6-(phenylmethyl)-3-(3-phenylpropanoylamino)pyridin-1-yl]ethanoylamino]hexanoic acid Openeye Name: 3-[[2-[6-benzyl-2-oxo-3-(3-phenylpropanoylamino)-1-pyridyl]acetyl]amino]-4-oxo-hexanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-[(1-oxo-3-phenylpropyl)amino]-6-(phenylmethyl)-1-pyridinyl]ethyl]amino]hexanoic acid IUPAC Name: 3-[[2-[6-benzyl-2-oxo-3-(3-phenylpropanoylamino)pyridin-1-yl]acetyl]amino]-4-oxohexanoic acid Traditional Name: 3-[[2-[6-benzyl-3-(hydrocinnamoylamino)-2-keto-1-pyridyl]acetyl]amino]-4-keto-hexanoic acid Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(=O)O)NC(=O)CN1C(=CC=C(C1=O)NC(=O)CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C(CC(=O)O)NC(=O)CN1C(=CC=C(C1=O)NC(=O)CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O6/c1-2-25(33)24(18-28(36)37)31-27(35)19-32-22(17-21-11-7-4-8-12-21)14-15-23(29(32)38)30-26(34)16-13-20-9-5-3-6-10-20/h3-12,14-15,24H,2,13,16-19H2,1H3,(H,30,34)(H,31,35)(H,36,37)