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

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-6-(phenylmethyl)-3-(3-phenylpropanoylamino)pyridin-1-yl]ethanoylamino]butanoate Openeye Name: 3-[[2-[6-benzyl-2-oxo-3-(3-phenylpropanoylamino)-1-pyridyl]acetyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-[(1-oxo-3-phenylpropyl)amino]-6-(phenylmethyl)-1-pyridinyl]ethyl]amino]butanoate IUPAC Name: 3-[[2-[6-benzyl-2-oxo-3-(3-phenylpropanoylamino)pyridin-1-yl]acetyl]amino]-4-oxobutanoate Traditional Name: 3-[[2-[6-benzyl-3-(hydrocinnamoylamino)-2-keto-1-pyridyl]acetyl]amino]-4-keto-butyrate Formula: C27H26N3O6- MolecularWeight: 488.51184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(N(C2=O)CC(=O)NC(CC(=O)[O-])C=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(N(C2=O)CC(=O)NC(CC(=O)[O-])C=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O6/c31-18-21(16-26(34)35)28-25(33)17-30-22(15-20-9-5-2-6-10-20)12-13-23(27(30)36)29-24(32)14-11-19-7-3-1-4-8-19/h1-10,12-13,18,21H,11,14-17H2,(H,28,33)(H,29,32)(H,34,35)/p-1