[(2S)-3-methyl-1-[methyl-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl] (2S)-2-[[(3S)-2,2-dimethyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]oct-7-ynoyl]amino]-3-methyl-butanoate

Systemtic Name: [(2S)-3-methyl-1-[methyl-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl] (2S)-2-[[(3S)-2,2-dimethyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]oct-7-ynoyl]amino]-3-methyl-butanoate Openeye Name: [(1S)-1-[[(1R)-1-benzyl-2-tert-butoxy-2-oxo-ethyl]-methyl-carbamoyl]-2-methyl-propyl] (2S)-2-[[(3S)-3-[3-(tert-butoxycarbonylamino)propanoyloxy]-2,2-dimethyl-oct-7-ynoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3S)-2,2-dimethyl-3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]-1-oxooct-7-ynyl]amino]-3-methylbutanoic acid [(2S)-3-methyl-1-[methyl-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-3-methyl-1-[methyl-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl] (2S)-2-[[(3S)-2,2-dimethyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]oct-7-ynoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(3S)-3-[3-(tert-butoxycarbonylamino)propanoyloxy]-2,2-dimethyl-oct-7-ynoyl]amino]-3-methyl-butyric acid [(1S)-1-[[(1R)-1-benzyl-2-tert-butoxy-2-keto-ethyl]-methyl-carbamoyl]-2-methyl-propyl] ester Formula: C42H65N3O10 MolecularWeight: 771.9796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C(C)C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)C(C)(C)C(CCCC#C)OC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)C(C)(C)[C@H](CCCC#C)OC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C42H65N3O10/c1-15-16-18-23-31(52-32(46)24-25-43-39(51)55-41(9,10)11)42(12,13)38(50)44-33(27(2)3)37(49)53-34(28(4)5)35(47)45(14)30(36(48)54-40(6,7)8)26-29-21-19-17-20-22-29/h1,17,19-22,27-28,30-31,33-34H,16,18,23-26H2,2-14H3,(H,43,51)(H,44,50)/t30-,31+,33+,34+/m1/s1