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

Systemtic Name: (2S)-N-[(2S,3S,4R,5S)-3-azido-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-1,6-diphenyl-hexan-2-yl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-3-methyl-butanamide Openeye Name: (2S)-N-[(1S,2S,3R,4S)-2-azido-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-5-phenyl-pentyl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanamide CAS Name: (2S)-N-[(2S,3S,4R,5S)-3-azido-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2S,3S,4R,5S)-3-azido-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanamide Traditional Name: (2S)-N-[(1S,2S,3R,4S)-2-azido-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-5-phenyl-pentyl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butyramide Formula: C64H81N7O9S2 MolecularWeight: 1156.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)CS(=O)(=O)C(C)(C)C)O)N=[N+]=[N-])NC(=O)[C@H](CC5=CC=CC6=CC=CC=C65)CS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C64H81N7O9S2/c1-41(2)55(68-59(73)49(39-81(77,78)63(5,6)7)37-47-31-21-29-45-27-17-19-33-51(45)47)61(75)66-53(35-43-23-13-11-14-24-43)57(70-71-65)58(72)54(36-44-25-15-12-16-26-44)67-62(76)56(42(3)4)69-60(74)50(40-82(79,80)64(8,9)10)38-48-32-22-30-46-28-18-20-34-52(46)48/h11-34,41-42,49-50,53-58,72H,35-40H2,1-10H3,(H,66,75)(H,67,76)(H,68,73)(H,69,74)/t49-,50-,53+,54+,55+,56+,57+,58-/m1/s1