tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[3-[[3-[[(5S)-6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]amino]-3-oxidanylidene-propyl]disulfanyl]propanoylamino]hexanoate

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[3-[[3-[[(5S)-6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]amino]-3-oxidanylidene-propyl]disulfanyl]propanoylamino]hexanoate Openeye Name: tert-butyl (2S)-6-[3-[[3-[[(5S)-6-tert-butoxy-5-(tert-butoxycarbonylamino)-6-oxo-hexyl]amino]-3-oxo-propyl]disulfanyl]propanoylamino]-2-(tert-butoxycarbonylamino)hexanoate CAS Name: (2S)-6-[[3-[[3-[[(5S)-6-[(2-methylpropan-2-yl)oxy]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexyl]amino]-3-oxopropyl]disulfanyl]-1-oxopropyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[3-[[3-[[(5S)-6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]amino]-3-oxopropyl]disulfanyl]propanoylamino]hexanoate Traditional Name: (2S)-6-[3-[[3-[[(5S)-6-tert-butoxy-5-(tert-butoxycarbonylamino)-6-keto-hexyl]amino]-3-keto-propyl]disulfanyl]propanoylamino]-2-(tert-butoxycarbonylamino)hexanoic acid tert-butyl ester Formula: C36H66N4O10S2 MolecularWeight: 779.06004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCNC(=O)CCSSCCC(=O)NCCCCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCCNC(=O)CCSSCCC(=O)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H66N4O10S2/c1-33(2,3)47-29(43)25(39-31(45)49-35(7,8)9)17-13-15-21-37-27(41)19-23-51-52-24-20-28(42)38-22-16-14-18-26(30(44)48-34(4,5)6)40-32(46)50-36(10,11)12/h25-26H,13-24H2,1-12H3,(H,37,41)(H,38,42)(H,39,45)(H,40,46)/t25-,26-/m0/s1