(2R,4S,5S)-2-ethyl-7,7-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-9-phenylmethoxy-nonanoic acid

Systemtic Name: (2R,4S,5S)-2-ethyl-7,7-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-9-phenylmethoxy-nonanoic acid Openeye Name: (2R,4S,5S)-9-benzyloxy-5-(tert-butoxycarbonylamino)-2-ethyl-4-hydroxy-7,7-dimethyl-nonanoic acid CAS Name: (2R,4S,5S)-2-ethyl-4-hydroxy-7,7-dimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-9-phenylmethoxynonanoic acid IUPAC Name: (2R,4S,5S)-2-ethyl-4-hydroxy-7,7-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-9-phenylmethoxynonanoic acid Traditional Name: (2R,4S,5S)-9-benzoxy-5-(tert-butoxycarbonylamino)-2-ethyl-4-hydroxy-7,7-dimethyl-pelargonic acid Formula: C25H41NO6 MolecularWeight: 451.59614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(CC(C)(C)CCOCC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)O

Isomeric SMILES

CC[C@H](C[C@@H]([C@H](CC(C)(C)CCOCC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)O

InChI

InChI=1S/C25H41NO6/c1-7-19(22(28)29)15-21(27)20(26-23(30)32-24(2,3)4)16-25(5,6)13-14-31-17-18-11-9-8-10-12-18/h8-12,19-21,27H,7,13-17H2,1-6H3,(H,26,30)(H,28,29)/t19-,20+,21+/m1/s1