(3R,16R,17S)-17-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-13-oxidanylidene-16-phenylmethoxy-octadecanoic acid

Systemtic Name: (3R,16R,17S)-17-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-13-oxidanylidene-16-phenylmethoxy-octadecanoic acid Openeye Name: (3R,16R,17S)-16-benzyloxy-17-(tert-butoxycarbonylamino)-3-hydroxy-13-oxo-octadecanoic acid CAS Name: (3R,16R,17S)-3-hydroxy-17-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-13-oxo-16-phenylmethoxyoctadecanoic acid IUPAC Name: (3R,16R,17S)-3-hydroxy-17-[(2-methylpropan-2-yl)oxycarbonylamino]-13-oxo-16-phenylmethoxyoctadecanoic acid Traditional Name: (3R,16R,17S)-16-benzoxy-17-(tert-butoxycarbonylamino)-3-hydroxy-13-keto-stearic acid Formula: C30H49NO7 MolecularWeight: 535.71256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC(=O)CCCCCCCCCC(CC(=O)O)O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]([C@@H](CCC(=O)CCCCCCCCC[C@H](CC(=O)O)O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H49NO7/c1-23(31-29(36)38-30(2,3)4)27(37-22-24-15-11-10-12-16-24)20-19-25(32)17-13-8-6-5-7-9-14-18-26(33)21-28(34)35/h10-12,15-16,23,26-27,33H,5-9,13-14,17-22H2,1-4H3,(H,31,36)(H,34,35)/t23-,26+,27+/m0/s1