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

Systemtic Name: 5-azanyl-2-[(4-octoxyphenyl)carbonylamino]-4,5-bis(oxidanyl)pentanoic acid Openeye Name: 5-amino-4,5-dihydroxy-2-[(4-octoxybenzoyl)amino]pentanoic acid CAS Name: 5-amino-4,5-dihydroxy-2-[[(4-octoxyphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-amino-4,5-dihydroxy-2-[(4-octoxybenzoyl)amino]pentanoic acid Traditional Name: 5-amino-4,5-dihydroxy-2-[(4-octoxybenzoyl)amino]valeric acid Formula: C20H32N2O6 MolecularWeight: 396.47788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)NC(CC(C(N)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)NC(CC(C(N)O)O)C(=O)O

InChI

InChI=1S/C20H32N2O6/c1-2-3-4-5-6-7-12-28-15-10-8-14(9-11-15)19(25)22-16(20(26)27)13-17(23)18(21)24/h8-11,16-18,23-24H,2-7,12-13,21H2,1H3,(H,22,25)(H,26,27)