5-azanyl-2-[[4-(decanoylamino)phenyl]carbonylamino]-4,5-bis(oxidanyl)pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-(decanoylamino)phenyl]carbonylamino]-4,5-bis(oxidanyl)pentanoic acid Openeye Name: 5-amino-2-[[4-(decanoylamino)benzoyl]amino]-4,5-dihydroxy-pentanoic acid CAS Name: 5-amino-4,5-dihydroxy-2-[[oxo-[4-(1-oxodecylamino)phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[[4-(decanoylamino)benzoyl]amino]-4,5-dihydroxypentanoic acid Traditional Name: 5-amino-2-[[4-(caprylamino)benzoyl]amino]-4,5-dihydroxy-valeric acid Formula: C22H35N3O6 MolecularWeight: 437.5298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC(CC(C(N)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC(CC(C(N)O)O)C(=O)O

InChI

InChI=1S/C22H35N3O6/c1-2-3-4-5-6-7-8-9-19(27)24-16-12-10-15(11-13-16)21(29)25-17(22(30)31)14-18(26)20(23)28/h10-13,17-18,20,26,28H,2-9,14,23H2,1H3,(H,24,27)(H,25,29)(H,30,31)