2-[[1-(carboxymethyl)-2-oxidanylidene-azocan-3-yl]amino]-5-phenyl-pentanoic acid

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-azocan-3-yl]amino]-5-phenyl-pentanoic acid Openeye Name: 2-[[1-(carboxymethyl)-2-oxo-azocan-3-yl]amino]-5-phenyl-pentanoic acid CAS Name: 2-[[1-(carboxymethyl)-2-oxo-3-azocanyl]amino]-5-phenylpentanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-2-oxoazocan-3-yl]amino]-5-phenylpentanoic acid Traditional Name: 2-[[1-(carboxymethyl)-2-keto-azocan-3-yl]amino]-5-phenyl-valeric acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)N(CC1)CC(=O)O)NC(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(C(=O)N(CC1)CC(=O)O)NC(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H28N2O5/c23-18(24)14-22-13-6-2-5-11-16(19(22)25)21-17(20(26)27)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16-17,21H,2,5-7,10-14H2,(H,23,24)(H,26,27)