methyl (E,4S,5S)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-4-oxidanyl-oct-2-enoate

Systemtic Name: methyl (E,4S,5S)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-4-oxidanyl-oct-2-enoate Openeye Name: methyl (E,4S,5S)-5-[benzyl(tert-butoxycarbonyl)amino]-4-hydroxy-7-methyl-oct-2-enoate CAS Name: (E,4S,5S)-4-hydroxy-7-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-2-octenoic acid methyl ester IUPAC Name: methyl (E,4S,5S)-5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxy-7-methyloct-2-enoate Traditional Name: (E,4S,5S)-5-[benzyl(tert-butoxycarbonyl)amino]-4-hydroxy-7-methyl-oct-2-enoic acid methyl ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C=CC(=O)OC)O)N(CC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]([C@H](/C=C/C(=O)OC)O)N(CC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33NO5/c1-16(2)14-18(19(24)12-13-20(25)27-6)23(21(26)28-22(3,4)5)15-17-10-8-7-9-11-17/h7-13,16,18-19,24H,14-15H2,1-6H3/b13-12+/t18-,19-/m0/s1