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

Systemtic Name: tert-butyl (E,2S,3S)-2-oxidanyl-3-[[(1S)-1-phenylethyl]-prop-2-enyl-amino]hex-4-enoate Openeye Name: tert-butyl (E,2S,3S)-3-[allyl-[(1S)-1-phenylethyl]amino]-2-hydroxy-hex-4-enoate CAS Name: (E,2S,3S)-2-hydroxy-3-[[(1S)-1-phenylethyl]-prop-2-enylamino]-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2S,3S)-2-hydroxy-3-[[(1S)-1-phenylethyl]-prop-2-enylamino]hex-4-enoate Traditional Name: (E,2S,3S)-3-[allyl-[(1S)-1-phenylethyl]amino]-2-hydroxy-hex-4-enoic acid tert-butyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO3/c1-7-12-18(19(23)20(24)25-21(4,5)6)22(15-8-2)16(3)17-13-10-9-11-14-17/h7-14,16,18-19,23H,2,15H2,1,3-6H3/b12-7+/t16-,18-,19-/m0/s1