prop-2-enyl 2-[(1S)-1-[[2-[(1S)-1-[[2-[2-[2-[2-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-2-phenyl-ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridin-3-yl]-1,3-thiazol-4-yl]carbonylamino]-3-(methylamino)-3-oxidanylidene-propyl]-5-methyl-1,3-thiazol-4-yl]carbonylamino]-2-methyl-propyl]-5-(methoxymethyl)-1,3-thiazole-4-carboxylate

Systemtic Name: prop-2-enyl 2-[(1S)-1-[[2-[(1S)-1-[[2-[2-[2-[2-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-2-phenyl-ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridin-3-yl]-1,3-thiazol-4-yl]carbonylamino]-3-(methylamino)-3-oxidanylidene-propyl]-5-methyl-1,3-thiazol-4-yl]carbonylamino]-2-methyl-propyl]-5-(methoxymethyl)-1,3-thiazole-4-carboxylate Openeye Name: allyl 2-[(1S)-1-[[2-[(1S)-1-[[2-[2-[2-[2-[(1S,2S)-1-[[2-(tert-butoxycarbonylamino)acetyl]amino]-2-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-ethyl]thiazol-4-yl]thiazol-4-yl]-6-(4-methoxycarbonylthiazol-2-yl)-3-pyridyl]thiazole-4-carbonyl]amino]-3-(methylamino)-3-oxo-propyl]-5-methyl-thiazole-4-carbonyl]amino]-2-methyl-propyl]-5-(methoxymethyl)thiazole-4-carboxylate CAS Name: 2-[(1S)-1-[[[2-[(1S)-1-[[[2-[2-[2-[2-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-2-phenylethyl]-4-thiazolyl]-4-thiazolyl]-6-(4-methoxycarbonyl-2-thiazolyl)-3-pyridinyl]-4-thiazolyl]-oxomethyl]amino]-3-(methylamino)-3-oxopropyl]-5-methyl-4-thiazolyl]-oxomethyl]amino]-2-methylpropyl]-5-(methoxymethyl)-4-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[(1S)-1-[[2-[(1S)-1-[[2-[2-[2-[2-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-phenylethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridin-3-yl]-1,3-thiazole-4-carbonyl]amino]-3-(methylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-5-(methoxymethyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-[(1S)-1-[[2-[(1S)-1-[[2-[2-[2-[2-[(1S,2S)-1-[[2-(tert-butoxycarbonylamino)acetyl]amino]-2-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-ethyl]thiazol-4-yl]thiazol-4-yl]-6-(4-carbomethoxythiazol-2-yl)-3-pyridyl]thiazole-4-carbonyl]amino]-3-keto-3-(methylamino)propyl]-5-methyl-thiazole-4-carbonyl]amino]-2-methyl-propyl]-5-(methoxymethyl)thiazole-4-carboxylic acid allyl ester Formula: C63H74N12O12S6Si MolecularWeight: 1411.81036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C(CC(=O)NC)NC(=O)C2=CSC(=N2)C3=C(N=C(C=C3)C4=NC(=CS4)C(=O)OC)C5=CSC(=N5)C6=CSC(=N6)C(C(C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C8=NC(=C(S8)COC)C(=O)OCC=C)C(C)C

Isomeric SMILES

CC1=C(N=C(S1)[C@H](CC(=O)NC)NC(=O)C2=CSC(=N2)C3=C(N=C(C=C3)C4=NC(=CS4)C(=O)OC)C5=CSC(=N5)C6=CSC(=N6)[C@H]([C@H](C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@H](C8=NC(=C(S8)COC)C(=O)OCC=C)C(C)C

InChI

InChI=1S/C63H74N12O12S6Si/c1-16-24-85-60(81)48-42(27-83-12)93-58(75-48)45(32(2)3)73-52(79)46-33(4)92-56(74-46)37(25-43(76)64-11)67-51(78)39-29-88-53(69-39)35-22-23-36(54-71-41(31-90-54)59(80)84-13)66-47(35)38-28-89-55(68-38)40-30-91-57(70-40)49(72-44(77)26-65-61(82)86-62(5,6)7)50(34-20-18-17-19-21-34)87-94(14,15)63(8,9)10/h16-23,28-32,37,45,49-50H,1,24-27H2,2-15H3,(H,64,76)(H,65,82)(H,67,78)(H,72,77)(H,73,79)/t37-,45-,49-,50-/m0/s1