4-[[3-[4-(6-azanylhexoxy)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[4-(6-azanylhexoxy)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[[4-(6-aminohexoxy)phenyl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[4-(6-aminohexoxy)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[4-(6-aminohexoxy)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-[4-(6-aminohexoxy)benzyl]-2-hydroxy-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCC(=O)O)OCCCCCCN

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCC(=O)O)OCCCCCCN

InChI

InChI=1S/C19H28N2O6/c20-11-3-1-2-4-12-27-15-7-5-14(6-8-15)13-16(19(25)26)21-17(22)9-10-18(23)24/h5-8,16H,1-4,9-13,20H2,(H,21,22)(H,23,24)(H,25,26)