(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-heptanoic acid

Systemtic Name: (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-heptanoic acid Openeye Name: (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-heptanoic acid CAS Name: (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-methylheptanoic acid IUPAC Name: (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-methylheptanoic acid Traditional Name: (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-enanthic acid Formula: C49H78N4O12Si MolecularWeight: 943.24872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)O)O[Si](C)(C)C(C)(C)C)NC(=O)C(C(C)OC(=O)C(CC1=CC=C(C=C1)OC)N(C)C(=O)OCC2=CC=CC=C2)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)O[Si](C)(C)C(C)(C)C)NC(=O)[C@H]([C@@H](C)OC(=O)[C@H](CC1=CC=C(C=C1)OC)N(C)C(=O)OCC2=CC=CC=C2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C49H78N4O12Si/c1-17-32(4)41(39(29-40(54)55)65-66(15,16)49(9,10)11)50-44(57)42(51-43(56)37(27-31(2)3)52(12)47(60)64-48(6,7)8)33(5)63-45(58)38(28-34-23-25-36(61-14)26-24-34)53(13)46(59)62-30-35-21-19-18-20-22-35/h18-26,31-33,37-39,41-42H,17,27-30H2,1-16H3,(H,50,57)(H,51,56)(H,54,55)/t32-,33+,37+,38-,39-,41+,42-/m0/s1