(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-N-[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]-3,3-dimethyl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-N-[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]-3,3-dimethyl-butanamide Openeye Name: (2S)-N-[(1S,2R,3R,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3,3-dimethyl-butanamide CAS Name: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-N-[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3,3-dimethylbutanamide IUPAC Name: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-N-[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-3,3-dimethylbutanoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3,3-dimethylbutanamide Traditional Name: (2S)-N-[(1S,2R,3R,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3,3-dimethyl-butyramide Formula: C66H86N4O10S2 MolecularWeight: 1159.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)C(C(C)(C)C)NC(=O)C(CC3=CC=CC4=CC=CC=C43)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)C(CC5=CC=CC6=CC=CC=C65)CS(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](CC5=CC=CC6=CC=CC=C65)CS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C66H86N4O10S2/c1-63(2,3)57(69-59(73)49(41-81(77,78)65(7,8)9)39-47-33-23-31-45-29-19-21-35-51(45)47)61(75)67-53(37-43-25-15-13-16-26-43)55(71)56(72)54(38-44-27-17-14-18-28-44)68-62(76)58(64(4,5)6)70-60(74)50(42-82(79,80)66(10,11)12)40-48-34-24-32-46-30-20-22-36-52(46)48/h13-36,49-50,53-58,71-72H,37-42H2,1-12H3,(H,67,75)(H,68,76)(H,69,73)(H,70,74)/t49-,50-,53+,54+,55-,56-,57-,58-/m1/s1