tert-butyl (E,2S,3S)-3-[[(1S)-1-phenylethyl]-phenylmethoxycarbonyl-amino]-2-prop-2-enyl-hex-4-enoate

Systemtic Name: tert-butyl (E,2S,3S)-3-[[(1S)-1-phenylethyl]-phenylmethoxycarbonyl-amino]-2-prop-2-enyl-hex-4-enoate Openeye Name: tert-butyl (E,2S,3S)-2-allyl-3-[benzyloxycarbonyl-[(1S)-1-phenylethyl]amino]hex-4-enoate CAS Name: (E,2S,3S)-3-[[(1S)-1-phenylethyl]-phenylmethoxycarbonylamino]-2-prop-2-enyl-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2S,3S)-3-[[(1S)-1-phenylethyl]-phenylmethoxycarbonylamino]-2-prop-2-enylhex-4-enoate Traditional Name: (E,2S,3S)-2-allyl-3-[carbobenzoxy-[(1S)-1-phenylethyl]amino]hex-4-enoic acid tert-butyl ester Formula: C29H37NO4 MolecularWeight: 463.60838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO4/c1-7-15-25(27(31)34-29(4,5)6)26(16-8-2)30(22(3)24-19-13-10-14-20-24)28(32)33-21-23-17-11-9-12-18-23/h7-14,16-20,22,25-26H,1,15,21H2,2-6H3/b16-8+/t22-,25-,26-/m0/s1