(2R)-6-azanyl-2-[2-azanylethanoyl-[4-(phenylcarbonyl)phenyl]carbonyl-amino]hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[2-azanylethanoyl-[4-(phenylcarbonyl)phenyl]carbonyl-amino]hexanoic acid Openeye Name: (2R)-6-amino-2-[(2-aminoacetyl)-(4-benzoylbenzoyl)amino]hexanoic acid CAS Name: (2R)-6-amino-2-[(2-amino-1-oxoethyl)-[(4-benzoylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2R)-6-amino-2-[(2-aminoacetyl)-(4-benzoylbenzoyl)amino]hexanoic acid Traditional Name: (2R)-6-amino-2-[(4-benzoylbenzoyl)-glycyl-amino]hexanoic acid Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)N(C(CCCCN)C(=O)O)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)N([C@H](CCCCN)C(=O)O)C(=O)CN

InChI

InChI=1S/C22H25N3O5/c23-13-5-4-8-18(22(29)30)25(19(26)14-24)21(28)17-11-9-16(10-12-17)20(27)15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14,23-24H2,(H,29,30)/t18-/m1/s1