5-[[2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-(6-aminohexanoylamino)-3-phenyl-propanoyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(6-amino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-(6-aminohexanoylamino)-3-phenyl-propanoyl]amino]-2-hydroxy-benzoic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)NC(=O)CCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)NC(=O)CCCCCN

InChI

InChI=1S/C22H27N3O5/c23-12-6-2-5-9-20(27)25-18(13-15-7-3-1-4-8-15)21(28)24-16-10-11-19(26)17(14-16)22(29)30/h1,3-4,7-8,10-11,14,18,26H,2,5-6,9,12-13,23H2,(H,24,28)(H,25,27)(H,29,30)