(phenylmethyl) 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]propanoate

Systemtic Name: (phenylmethyl) 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]propanoate Openeye Name: benzyl 3-[5-(tert-butoxycarbonylamino)-4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-phenoxy]propanoate CAS Name: 3-[4-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-2-methoxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenoxy]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]propanoate Traditional Name: 3-[5-(tert-butoxycarbonylamino)-2-methoxy-4-[(2S)-2-methylolpyrrolidine-1-carbonyl]phenoxy]propionic acid benzyl ester Formula: C28H36N2O8 MolecularWeight: 528.59404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C(C=C1C(=O)N2CCCC2CO)OC)OCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1C(=O)N2CCC[C@H]2CO)OC)OCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O8/c1-28(2,3)38-27(34)29-22-16-24(36-14-12-25(32)37-18-19-9-6-5-7-10-19)23(35-4)15-21(22)26(33)30-13-8-11-20(30)17-31/h5-7,9-10,15-16,20,31H,8,11-14,17-18H2,1-4H3,(H,29,34)/t20-/m0/s1