propan-2-yl (E,3R)-3-[[(1R)-1-phenylethyl]-phenylmethoxycarbonyl-amino]hept-5-enoate

Systemtic Name: propan-2-yl (E,3R)-3-[[(1R)-1-phenylethyl]-phenylmethoxycarbonyl-amino]hept-5-enoate Openeye Name: isopropyl (E,3R)-3-[benzyloxycarbonyl-[(1R)-1-phenylethyl]amino]hept-5-enoate CAS Name: (E,3R)-3-[[(1R)-1-phenylethyl]-phenylmethoxycarbonylamino]-5-heptenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E,3R)-3-[[(1R)-1-phenylethyl]-phenylmethoxycarbonylamino]hept-5-enoate Traditional Name: (E,3R)-3-[carbobenzoxy-[(1R)-1-phenylethyl]amino]hept-5-enoic acid isopropyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC(=O)OC(C)C)N(C(C)C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C/C=C/C[C@H](CC(=O)OC(C)C)N([C@H](C)C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H33NO4/c1-5-6-17-24(18-25(28)31-20(2)3)27(21(4)23-15-11-8-12-16-23)26(29)30-19-22-13-9-7-10-14-22/h5-16,20-21,24H,17-19H2,1-4H3/b6-5+/t21-,24-/m1/s1