methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-2-[[(2R)-3-methyl-2-[[(2R)-3-methyl-2-[[(E,3R)-3-oxidanyl-7-(triphenylmethyl)sulfanyl-hept-4-enoyl]amino]butanoyl]amino]butanoyl]amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoate

Systemtic Name: methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-2-[[(2R)-3-methyl-2-[[(2R)-3-methyl-2-[[(E,3R)-3-oxidanyl-7-(triphenylmethyl)sulfanyl-hept-4-enoyl]amino]butanoyl]amino]butanoyl]amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoate Openeye Name: methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(E,3R)-3-hydroxy-7-tritylsulfanyl-hept-4-enoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-tritylsulfanyl-propanoyl]amino]butanoate CAS Name: (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(E,3R)-3-hydroxy-1-oxo-7-[(triphenylmethyl)thio]hept-4-enyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(E,3R)-3-hydroxy-7-tritylsulfanylhept-4-enoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-tritylsulfanylpropanoyl]amino]butanoate Traditional Name: (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(E,3R)-3-hydroxy-7-(tritylthio)hept-4-enoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(tritylthio)propanoyl]amino]butyric acid methyl ester Formula: C69H86N4O8S2Si MolecularWeight: 1191.65864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC)NC(=O)CC(C=CCCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC)NC(=O)[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)C[C@H](/C=C/CCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C69H86N4O8S2Si/c1-48(2)60(71-59(75)46-57(74)44-30-31-45-82-68(51-32-18-12-19-33-51,52-34-20-13-21-35-52)53-36-22-14-23-37-53)65(78)72-61(49(3)4)64(77)70-58(63(76)73-62(66(79)80-9)50(5)81-84(10,11)67(6,7)8)47-83-69(54-38-24-15-25-39-54,55-40-26-16-27-41-55)56-42-28-17-29-43-56/h12-30,32-44,48-50,57-58,60-62,74H,31,45-47H2,1-11H3,(H,70,77)(H,71,75)(H,72,78)(H,73,76)/b44-30+/t50-,57+,58-,60-,61-,62+/m1/s1