2-[1-[(3R)-3-[[4-[(E)-azanyl(1,3-thiazolidin-3-ium-3-ylidene)methyl]-2-fluoranyl-phenyl]carbonylamino]-2,2-dimethyl-pentanoyl]piperidin-4-yl]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-[1-[(3R)-3-[[4-[(E)-azanyl(1,3-thiazolidin-3-ium-3-ylidene)methyl]-2-fluoranyl-phenyl]carbonylamino]-2,2-dimethyl-pentanoyl]piperidin-4-yl]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-[1-[(3R)-3-[[4-[(E)-amino(thiazolidin-3-ium-3-ylidene)methyl]-2-fluoro-benzoyl]amino]-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid; 2,2,2-trifluoroacetate CAS Name: 2-[1-[(3R)-3-[[[4-[(E)-amino(3-thiazolidin-3-iumylidene)methyl]-2-fluorophenyl]-oxomethyl]amino]-2,2-dimethyl-1-oxopentyl]-4-piperidinyl]acetic acid; 2,2,2-trifluoroacetate IUPAC Name: 2-[1-[(3R)-3-[[4-[(E)-amino(1,3-thiazolidin-3-ium-3-ylidene)methyl]-2-fluorobenzoyl]amino]-2,2-dimethylpentanoyl]piperidin-4-yl]acetic acid; 2,2,2-trifluoroacetate Traditional Name: 2-[1-[(3R)-3-[[4-[(E)-amino(thiazolidin-3-ium-3-ylidene)methyl]-2-fluoro-benzoyl]amino]-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid; 2,2,2-trifluoroacetate Formula: C27H36F4N4O6S MolecularWeight: 620.656553

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)C(=[N+]3CCSC3)N)F.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC[C@H](C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)/C(=[N+]\3/CCSC3)/N)F.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C25H35FN4O4S.C2HF3O2/c1-4-20(25(2,3)24(34)29-9-7-16(8-10-29)13-21(31)32)28-23(33)18-6-5-17(14-19(18)26)22(27)30-11-12-35-15-30;3-2(4,5)1(6)7/h5-6,14,16,20,27H,4,7-13,15H2,1-3H3,(H2,28,31,32,33);(H,6,7)/t20-;/m1./s1