3-[(2-methylpropan-2-yl)oxycarbonyl-[2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanoyl]amino]propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-[2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanoyl]amino]propanoic acid Openeye Name: 3-[tert-butoxycarbonyl-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-1-oxoethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Traditional Name: 3-[tert-butoxycarbonyl-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetyl]amino]propionic acid Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N(CCC(=O)O)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N(CCC(=O)O)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H34N2O7/c1-15(2)23-13-17(25)14-30-18-8-6-16(7-9-18)12-19(26)24(11-10-20(27)28)21(29)31-22(3,4)5/h6-9,15,17,23,25H,10-14H2,1-5H3,(H,27,28)