S-[(2R,3R)-15-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-hexadecyl] ethanethioate

Systemtic Name: S-[(2R,3R)-15-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-hexadecyl] ethanethioate Openeye Name: S-[(2R,3R)-3-benzyloxy-2-(tert-butoxycarbonylamino)-15-methyl-hexadecyl] ethanethioate CAS Name: ethanethioic acid S-[(2R,3R)-15-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxyhexadecyl] ester IUPAC Name: S-[(2R,3R)-15-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxyhexadecyl] ethanethioate Traditional Name: ethanethioic acid S-[(2R,3R)-3-benzoxy-2-(tert-butoxycarbonylamino)-15-methyl-hexadecyl] ester Formula: C31H53NO4S MolecularWeight: 535.82182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(C(CSC(=O)C)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@H]([C@H](CSC(=O)C)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1

InChI

InChI=1S/C31H53NO4S/c1-25(2)19-15-12-10-8-7-9-11-13-18-22-29(35-23-27-20-16-14-17-21-27)28(24-37-26(3)33)32-30(34)36-31(4,5)6/h14,16-17,20-21,25,28-29H,7-13,15,18-19,22-24H2,1-6H3,(H,32,34)/t28-,29+/m0/s1