tert-butyl (3S,4R)-4-methyl-3-[[(1R)-1-phenylethyl]-prop-2-enyl-amino]-5-phenylmethoxy-pentanoate

Systemtic Name: tert-butyl (3S,4R)-4-methyl-3-[[(1R)-1-phenylethyl]-prop-2-enyl-amino]-5-phenylmethoxy-pentanoate Openeye Name: tert-butyl (3S,4R)-3-[allyl-[(1R)-1-phenylethyl]amino]-5-benzyloxy-4-methyl-pentanoate CAS Name: (3S,4R)-4-methyl-3-[[(1R)-1-phenylethyl]-prop-2-enylamino]-5-phenylmethoxypentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-methyl-3-[[(1R)-1-phenylethyl]-prop-2-enylamino]-5-phenylmethoxypentanoate Traditional Name: (3S,4R)-3-[allyl-[(1R)-1-phenylethyl]amino]-5-benzoxy-4-methyl-valeric acid tert-butyl ester Formula: C28H39NO3 MolecularWeight: 437.61416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C(CC(=O)OC(C)(C)C)N(CC=C)C(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](COCC1=CC=CC=C1)[C@H](CC(=O)OC(C)(C)C)N(CC=C)[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C28H39NO3/c1-7-18-29(23(3)25-16-12-9-13-17-25)26(19-27(30)32-28(4,5)6)22(2)20-31-21-24-14-10-8-11-15-24/h7-17,22-23,26H,1,18-21H2,2-6H3/t22-,23+,26-/m0/s1