2-[2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-heptanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-heptanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-[[3-(tert-butoxycarbonylamino)-2-hydroxy-heptanoyl]amino]acetyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[2-[[2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoheptyl]amino]-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-[[3-(tert-butoxycarbonylamino)-2-hydroxy-heptanoyl]amino]acetyl]amino]-2-phenyl-acetic acid Formula: C22H33N3O7 MolecularWeight: 451.51332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O7/c1-5-6-12-15(24-21(31)32-22(2,3)4)18(27)19(28)23-13-16(26)25-17(20(29)30)14-10-8-7-9-11-14/h7-11,15,17-18,27H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,31)(H,25,26)(H,29,30)