2-[[4-methyl-2-[(3-phenylmethoxypyrrolidin-2-yl)carbonylamino]pentanoyl]amino]butanedioic acid

Systemtic Name: 2-[[4-methyl-2-[(3-phenylmethoxypyrrolidin-2-yl)carbonylamino]pentanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[(3-benzyloxypyrrolidine-2-carbonyl)amino]-4-methyl-pentanoyl]amino]butanedioic acid CAS Name: 2-[[4-methyl-1-oxo-2-[[oxo-(3-phenylmethoxy-2-pyrrolidinyl)methyl]amino]pentyl]amino]butanedioic acid IUPAC Name: 2-[[4-methyl-2-[(3-phenylmethoxypyrrolidine-2-carbonyl)amino]pentanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[(3-benzoxyprolyl)amino]-4-methyl-pentanoyl]amino]succinic acid Formula: C22H31N3O7 MolecularWeight: 449.49744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C1C(CCN1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C1C(CCN1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O7/c1-13(2)10-15(20(28)25-16(22(30)31)11-18(26)27)24-21(29)19-17(8-9-23-19)32-12-14-6-4-3-5-7-14/h3-7,13,15-17,19,23H,8-12H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)