3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]-2-[[3-oxidanylidene-3-phenylmethoxy-2-(phenylmethyl)propanoyl]amino]propanoic acid

Systemtic Name: 3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]-2-[[3-oxidanylidene-3-phenylmethoxy-2-(phenylmethyl)propanoyl]amino]propanoic acid Openeye Name: 2-[(2-benzyl-3-benzyloxy-3-oxo-propanoyl)amino]-3-[4-[6-(tert-butoxycarbonylamino)hexoxy]phenyl]propanoic acid CAS Name: 2-[[1,3-dioxo-3-phenylmethoxy-2-(phenylmethyl)propyl]amino]-3-[4-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexoxy]phenyl]propanoic acid IUPAC Name: 2-[(2-benzyl-3-oxo-3-phenylmethoxypropanoyl)amino]-3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]propanoic acid Traditional Name: 2-[(3-benzoxy-2-benzyl-3-keto-propanoyl)amino]-3-[4-[6-(tert-butoxycarbonylamino)hexoxy]phenyl]propionic acid Formula: C37H46N2O8 MolecularWeight: 646.76974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C37H46N2O8/c1-37(2,3)47-36(44)38-22-12-4-5-13-23-45-30-20-18-28(19-21-30)25-32(34(41)42)39-33(40)31(24-27-14-8-6-9-15-27)35(43)46-26-29-16-10-7-11-17-29/h6-11,14-21,31-32H,4-5,12-13,22-26H2,1-3H3,(H,38,44)(H,39,40)(H,41,42)