tert-butyl (1S,2S)-2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonyl-amino]cyclopent-3-ene-1-carboxylate

Systemtic Name: tert-butyl (1S,2S)-2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonyl-amino]cyclopent-3-ene-1-carboxylate Openeye Name: tert-butyl (1S,2S)-2-[benzyloxycarbonyl-[(1S)-1-phenylethyl]amino]cyclopent-3-ene-1-carboxylate CAS Name: (1S,2S)-2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonylamino]-1-cyclopent-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S)-2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonylamino]cyclopent-3-ene-1-carboxylate Traditional Name: (1S,2S)-2-[carbobenzoxy-[(1S)-1-phenylethyl]amino]cyclopent-3-ene-1-carboxylic acid tert-butyl ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C2C=CCC2C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N([C@H]2C=CC[C@@H]2C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31NO4/c1-19(21-14-9-6-10-15-21)27(25(29)30-18-20-12-7-5-8-13-20)23-17-11-16-22(23)24(28)31-26(2,3)4/h5-15,17,19,22-23H,16,18H2,1-4H3/t19-,22-,23-/m0/s1