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

Systemtic Name: 2,2,2-tris(fluoranyl)ethanoyl (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-azanyl-5-[(4-phenyldiazenylphenyl)methylsulfonyl]pentanoyl]amino]propaneperoxoate Openeye Name: (2,2,2-trifluoroacetyl) (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-amino-5-[(4-phenylazophenyl)methylsulfonyl]pentanoyl]amino]propaneperoxoate CAS Name: (2R)-3-(acetamidomethylthio)-2-[[(2S)-2-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-amino-5-[(4-phenyldiazenylphenyl)methylsulfonyl]pentanoyl]amino]propaneperoxoate Traditional Name: (2R)-3-(acetamidomethylthio)-2-[[(2S)-2-amino-5-(4-phenylazobenzyl)sulfonyl-pentanoyl]amino]peroxypropionic acid (2,2,2-trifluoroacetyl) ester Formula: C26H30F3N5O8S2 MolecularWeight: 661.67031

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)OOC(=O)C(F)(F)F)NC(=O)C(CCCS(=O)(=O)CC1=CC=C(C=C1)N=NC2=CC=CC=C2)N

Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)OOC(=O)C(F)(F)F)NC(=O)[C@H](CCCS(=O)(=O)CC1=CC=C(C=C1)N=NC2=CC=CC=C2)N

InChI

InChI=1S/C26H30F3N5O8S2/c1-17(35)31-16-43-14-22(24(37)41-42-25(38)26(27,28)29)32-23(36)21(30)8-5-13-44(39,40)15-18-9-11-20(12-10-18)34-33-19-6-3-2-4-7-19/h2-4,6-7,9-12,21-22H,5,8,13-16,30H2,1H3,(H,31,35)(H,32,36)/t21-,22-/m0/s1