(phenylmethyl) (4R)-4-[6-butylsulfanyl-5-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenoxy]-4-oxidanyl-cyclohexa-1,4-dien-1-yl]carbonyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (4R)-4-[6-butylsulfanyl-5-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenoxy]-4-oxidanyl-cyclohexa-1,4-dien-1-yl]carbonyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Openeye Name: benzyl (4R)-4-[5-[4-[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]phenoxy]-6-butylsulfanyl-4-hydroxy-cyclohexa-1,4-diene-1-carbonyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4R)-4-[[6-(butylthio)-4-hydroxy-5-[4-[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenoxy]-1-cyclohexa-1,4-dienyl]-oxomethyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-[6-butylsulfanyl-4-hydroxy-5-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]cyclohexa-1,4-diene-1-carbonyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4R)-4-[5-[4-[(2S)-2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]phenoxy]-6-(butylthio)-4-hydroxy-cyclohexa-1,4-diene-1-carbonyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid benzyl ester Formula: C39H50N2O10S MolecularWeight: 738.8867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1C(=CCC(=C1OC2=CC=C(C=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C)O)C(=O)C3COC(N3C(=O)OCC4=CC=CC=C4)(C)C

Isomeric SMILES

CCCCSC1C(=CCC(=C1OC2=CC=C(C=C2)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O)C(=O)[C@H]3COC(N3C(=O)OCC4=CC=CC=C4)(C)C

InChI

InChI=1S/C39H50N2O10S/c1-8-9-21-52-34-28(32(43)30-24-49-39(5,6)41(30)37(46)48-23-26-13-11-10-12-14-26)19-20-31(42)33(34)50-27-17-15-25(16-18-27)22-29(35(44)47-7)40-36(45)51-38(2,3)4/h10-19,29-30,34,42H,8-9,20-24H2,1-7H3,(H,40,45)/t29-,30+,34?/m0/s1