15-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]oxy-hexadecanoic acid

Systemtic Name: 15-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]oxy-hexadecanoic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]oxy-15-methyl-hexadecanoic acid CAS Name: 15-methyl-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropoxy]hexadecanoic acid IUPAC Name: 15-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxyhexadecanoic acid Traditional Name: 3-[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]oxy-15-methyl-palmitic acid Formula: C31H51NO6 MolecularWeight: 533.73974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)O)OC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCC(CC(=O)O)OC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H51NO6/c1-24(2)18-14-11-9-7-6-8-10-12-17-21-26(23-28(33)34)37-29(35)27(22-25-19-15-13-16-20-25)32-30(36)38-31(3,4)5/h13,15-16,19-20,24,26-27H,6-12,14,17-18,21-23H2,1-5H3,(H,32,36)(H,33,34)