benzotriazol-2-yl (2S)-2-[(1R,3S,4aR,5R,8aS)-5-[(2R)-1-(2-aminophenyl)sulfanyl-3-methyl-butan-2-yl]-3-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoate

Systemtic Name: benzotriazol-2-yl (2S)-2-[(1R,3S,4aR,5R,8aS)-5-[(2R)-1-(2-aminophenyl)sulfanyl-3-methyl-butan-2-yl]-3-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoate Openeye Name: benzotriazol-2-yl (2S)-2-[(1R,3S,4aR,5R,8aS)-5-[(1R)-1-[(2-aminophenyl)sulfanylmethyl]-2-methyl-propyl]-3-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoate CAS Name: (2S)-2-[(1R,3S,4aR,5R,8aS)-5-[(2R)-1-[(2-aminophenyl)thio]-3-methylbutan-2-yl]-3-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid 2-benzotriazolyl ester IUPAC Name: benzotriazol-2-yl (2S)-2-[(1R,3S,4aR,5R,8aS)-5-[(2R)-1-(2-aminophenyl)sulfanyl-3-methylbutan-2-yl]-3-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoate Traditional Name: (2S)-2-[(1R,3S,4aR,5R,8aS)-5-[(1R)-1-[[(2-aminophenyl)thio]methyl]-2-methyl-propyl]-3-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propionic acid benzotriazol-2-yl ester Formula: C47H58N4O3SSi MolecularWeight: 787.13892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C(CC(CC2C(C)C(=O)ON3N=C4C=CC=CC4=N3)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C(C1)C(CSC7=CC=CC=C7N)C(C)C

Isomeric SMILES

CC1=C[C@H]2[C@H](C[C@@H](C[C@H]2[C@H](C)C(=O)ON3N=C4C=CC=CC4=N3)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)[C@@H](C1)[C@H](CSC7=CC=CC=C7N)C(C)C

InChI

InChI=1S/C47H58N4O3SSi/c1-31(2)41(30-55-45-25-17-14-22-42(45)48)39-27-32(3)26-38-37(33(4)46(52)53-51-49-43-23-15-16-24-44(43)50-51)28-34(29-40(38)39)54-56(47(5,6)7,35-18-10-8-11-19-35)36-20-12-9-13-21-36/h8-26,31,33-34,37-41H,27-30,48H2,1-7H3/t33-,34+,37-,38+,39+,40-,41+/m0/s1