2-[[2-ethyl-3-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]morpholin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[2-ethyl-3-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]morpholin-4-yl]amino]ethanoic acid Openeye Name: 2-[[3-[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]-2-ethyl-morpholin-4-yl]amino]acetic acid CAS Name: 2-[[2-ethyl-3-[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-4-morpholinyl]amino]acetic acid IUPAC Name: 2-[[2-ethyl-3-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]morpholin-4-yl]amino]acetic acid Traditional Name: 2-[[3-[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]-2-ethyl-morpholino]amino]acetic acid Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(CCO1)NCC(=O)O)C(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC1C(N(CCO1)NCC(=O)O)C(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O6/c1-4-18-20(25(10-11-30-18)23-13-19(26)27)21(28)17(12-15(2)3)24-22(29)31-14-16-8-6-5-7-9-16/h5-9,15,17-18,20,23H,4,10-14H2,1-3H3,(H,24,29)(H,26,27)