2,2,2-tris(fluoranyl)ethanoyl (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[(4-phenyldiazenylphenyl)methylsulfonyl]pentanoyl]amino]propaneperoxoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethanoyl (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[(4-phenyldiazenylphenyl)methylsulfonyl]pentanoyl]amino]propaneperoxoate Openeye Name: (2,2,2-trifluoroacetyl) (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-5-[(4-phenylazophenyl)methylsulfonyl]pentanoyl]amino]propaneperoxoate CAS Name: (2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-5-[(4-phenyldiazenylphenyl)methylsulfonyl]pentyl]amino]propaneperoxoic acid (2,2,2-trifluoro-1-oxoethyl) ester IUPAC Name: (2,2,2-trifluoroacetyl) (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-[(4-phenyldiazenylphenyl)methylsulfonyl]pentanoyl]amino]propaneperoxoate Traditional Name: (2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-5-(4-phenylazobenzyl)sulfonyl-pentanoyl]amino]peroxypropionic acid (2,2,2-trifluoroacetyl) ester Formula: C43H53F3N8O13S2 MolecularWeight: 1011.05193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CCCS(=O)(=O)CC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)NC(CSCNC(=O)C)C(=O)OOC(=O)C(F)(F)F)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCS(=O)(=O)CC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)N[C@@H](CSCNC(=O)C)C(=O)OOC(=O)C(F)(F)F)N)O

InChI

InChI=1S/C43H53F3N8O13S2/c1-25(55)35(47)39(60)50-33(21-28-11-6-4-7-12-28)38(59)52-36(26(2)56)40(61)49-32(37(58)51-34(22-68-24-48-27(3)57)41(62)66-67-42(63)43(44,45)46)15-10-20-69(64,65)23-29-16-18-31(19-17-29)54-53-30-13-8-5-9-14-30/h4-9,11-14,16-19,25-26,32-36,55-56H,10,15,20-24,47H2,1-3H3,(H,48,57)(H,49,61)(H,50,60)(H,51,58)(H,52,59)/t25-,26-,32+,33+,34+,35+,36+/m1/s1