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

Systemtic Name: methyl (4S,5S)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-4-oxidanyl-octanoate Openeye Name: methyl (4S,5S)-5-[benzyl(tert-butoxycarbonyl)amino]-4-hydroxy-7-methyl-octanoate CAS Name: (4S,5S)-4-hydroxy-7-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]octanoic acid methyl ester IUPAC Name: methyl (4S,5S)-5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxy-7-methyloctanoate Traditional Name: (4S,5S)-5-[benzyl(tert-butoxycarbonyl)amino]-4-hydroxy-7-methyl-caprylic acid methyl ester Formula: C22H35NO5 MolecularWeight: 393.517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO5/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/h7-11,16,18-19,24H,12-15H2,1-6H3/t18-,19-/m0/s1