(2S)-1-[(2S)-2-[[(4S)-4-[(3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[(2S,3R)-3-[(2S)-3-(4-methoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]oxy-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoyl]amino]-5-methyl-heptanoyl]oxy-2,5-dimethyl-3-oxidanylidene-hexanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(4S)-4-[(3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[(2S,3R)-3-[(2S)-3-(4-methoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]oxy-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoyl]amino]-5-methyl-heptanoyl]oxy-2,5-dimethyl-3-oxidanylidene-hexanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(4S)-4-[(3S,4R,5S)-4-[[(2S,3R)-3-[(2S)-2-[benzyloxycarbonyl(methyl)amino]-3-(4-methoxyphenyl)propanoyl]oxy-2-[[(2R)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoyl]amino]butanoyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-heptanoyl]oxy-2,5-dimethyl-3-oxo-hexanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(4S)-4-[(3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[(2S,3R)-3-[(2S)-3-(4-methoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]-1-oxopropoxy]-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-5-methyl-1-oxoheptoxy]-2,5-dimethyl-1,3-dioxohexyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(4S)-4-[(3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[(2S,3R)-3-[(2S)-3-(4-methoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]oxy-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoyl]amino]-5-methylheptanoyl]oxy-2,5-dimethyl-3-oxohexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(4S)-4-[(3S,4R,5S)-4-[[(2S,3R)-2-[[(2R)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoyl]amino]-3-[(2S)-2-[carbobenzoxy(methyl)amino]-3-(4-methoxyphenyl)propanoyl]oxy-butanoyl]amino]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-heptanoyl]oxy-3-keto-2,5-dimethyl-hexanoyl]amino]-4-methyl-pentanoyl]proline Formula: C68H108N6O17Si MolecularWeight: 1309.70062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)OC(C(C)C)C(=O)C(C)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)O)O[Si](C)(C)C(C)(C)C)NC(=O)C(C(C)OC(=O)C(CC2=CC=C(C=C2)OC)N(C)C(=O)OCC3=CC=CC=C3)NC(=O)C(CC(C)C)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@H]([C@H](CC(=O)O[C@@H](C(C)C)C(=O)C(C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)O[Si](C)(C)C(C)(C)C)NC(=O)[C@H]([C@@H](C)OC(=O)[C@H](CC2=CC=C(C=C2)OC)N(C)C(=O)OCC3=CC=CC=C3)NC(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C68H108N6O17Si/c1-22-43(8)55(53(91-92(20,21)68(14,15)16)38-54(75)89-58(42(6)7)57(76)44(9)59(77)69-49(35-40(2)3)62(80)74-34-26-29-50(74)63(81)82)70-61(79)56(71-60(78)51(36-41(4)5)72(17)66(85)90-67(11,12)13)45(10)88-64(83)52(37-46-30-32-48(86-19)33-31-46)73(18)65(84)87-39-47-27-24-23-25-28-47/h23-25,27-28,30-33,40-45,49-53,55-56,58H,22,26,29,34-39H2,1-21H3,(H,69,77)(H,70,79)(H,71,78)(H,81,82)/t43-,44?,45+,49-,50-,51+,52-,53-,55+,56-,58-/m0/s1