2-[[6-azanyl-1-[2-(carboxymethyl)pyrrolidin-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-1-[2-(carboxymethyl)pyrrolidin-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[5-amino-1-[2-(carboxymethyl)pyrrolidine-1-carbonyl]pentyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[6-amino-1-[2-(carboxymethyl)-1-pyrrolidinyl]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[6-amino-1-[2-(carboxymethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[5-amino-1-[2-(carboxymethyl)pyrrolidine-1-carbonyl]pentyl]amino]-4-phenyl-butyric acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)CC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)CC(=O)O

InChI

InChI=1S/C22H33N3O5/c23-13-5-4-10-18(21(28)25-14-6-9-17(25)15-20(26)27)24-19(22(29)30)12-11-16-7-2-1-3-8-16/h1-3,7-8,17-19,24H,4-6,9-15,23H2,(H,26,27)(H,29,30)