4-oxidanylidene-3-[2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]ethanoylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]ethanoylamino]butanoic acid Openeye Name: 4-oxo-3-[[2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridyl]acetyl]amino]butanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-[(1-oxo-3-phenylpropyl)amino]-1-pyridinyl]ethyl]amino]butanoic acid IUPAC Name: 4-oxo-3-[[2-[2-oxo-3-(3-phenylpropanoylamino)pyridin-1-yl]acetyl]amino]butanoic acid Traditional Name: 3-[[2-[3-(hydrocinnamoylamino)-2-keto-1-pyridyl]acetyl]amino]-4-keto-butyric acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=CN(C2=O)CC(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=CN(C2=O)CC(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C20H21N3O6/c24-13-15(11-19(27)28)21-18(26)12-23-10-4-7-16(20(23)29)22-17(25)9-8-14-5-2-1-3-6-14/h1-7,10,13,15H,8-9,11-12H2,(H,21,26)(H,22,25)(H,27,28)