[(2R,3S)-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-3-phenyl-1-prop-2-enoxy-propan-2-yl]amino]-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]butan-2-yl] (2S,3S)-2-[[(2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[methyl-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxy-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-methyl-pentanoate

Systemtic Name: [(2R,3S)-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-3-phenyl-1-prop-2-enoxy-propan-2-yl]amino]-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]butan-2-yl] (2S,3S)-2-[[(2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[methyl-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxy-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-methyl-pentanoate Openeye Name: [(1R,2S)-3-[[(1S)-2-allyloxy-1-benzyl-2-oxo-ethyl]amino]-1-methyl-3-oxo-2-(2,2,2-trichloroethoxycarbonylamino)propyl] (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-benzyloxy-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[methyl-[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-5-phenylmethoxypentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-3-methylpentanoic acid [(2R,3S)-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]amino]-3-[[oxo(2,2,2-trichloroethoxy)methyl]amino]butan-2-yl] ester IUPAC Name: [(2R,3S)-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]amino]-3-(2,2,2-trichloroethoxycarbonylamino)butan-2-yl] (2S,3S)-2-[[(2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[methyl-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-benzoxy-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoyl]amino]-3-methyl-valeric acid [(1R,2S)-3-[[(1S)-2-allyloxy-1-benzyl-2-keto-ethyl]amino]-3-keto-1-methyl-2-(2,2,2-trichloroethoxycarbonylamino)propyl] ester Formula: C67H91Cl3N6O14Si MolecularWeight: 1338.91574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC=C)NC(=O)OCC(Cl)(Cl)Cl)NC(=O)C(CC2=CC=C(C=C2)O[Si](C)(C)C(C)(C)C)N(C)C(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCOCC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC=C)NC(=O)OCC(Cl)(Cl)Cl)NC(=O)[C@H](CC2=CC=C(C=C2)O[Si](C)(C)C(C)(C)C)N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCOCC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C67H91Cl3N6O14Si/c1-14-37-86-61(81)53(40-47-28-21-17-22-29-47)72-59(79)56(75-63(83)87-43-67(68,69)70)45(4)88-62(82)55(44(3)15-2)74-58(78)54(41-48-33-35-50(36-34-48)90-91(12,13)66(8,9)10)76(11)60(80)52(39-46-26-19-16-20-27-46)71-57(77)51(73-64(84)89-65(5,6)7)32-25-38-85-42-49-30-23-18-24-31-49/h14,16-24,26-31,33-36,44-45,51-56H,1,15,25,32,37-43H2,2-13H3,(H,71,77)(H,72,79)(H,73,84)(H,74,78)(H,75,83)/t44-,45+,51-,52-,53-,54-,55-,56-/m0/s1