2-[[2-oxidanylidene-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)azonan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[2-oxidanylidene-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)azonan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-(2-hydroxy-1-methyl-2-oxo-ethyl)-2-oxo-azonan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-(1-hydroxy-1-oxopropan-2-yl)-2-oxo-3-azonanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-(1-hydroxy-1-oxopropan-2-yl)-2-oxoazonan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-(2-hydroxy-2-keto-1-methyl-ethyl)-2-keto-azonan-3-yl]amino]-4-phenyl-butyric acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCCCCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)O)N1CCCCCCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N2O5/c1-15(20(25)26)23-14-8-3-2-7-11-17(19(23)24)22-18(21(27)28)13-12-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,22H,2-3,7-8,11-14H2,1H3,(H,25,26)(H,27,28)