6-[[4-[2-[[(2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]propanoyl]amino]-1,3-thiazol-4-yl]phenyl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[[4-[2-[[(2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]propanoyl]amino]-1,3-thiazol-4-yl]phenyl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[4-[2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]thiazol-4-yl]anilino]-6-oxo-hexanoic acid CAS Name: 6-[4-[2-[[(2S)-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-1-oxopropyl]amino]-4-thiazolyl]anilino]-6-oxohexanoic acid IUPAC Name: 6-[4-[2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-1,3-thiazol-4-yl]anilino]-6-oxohexanoic acid Traditional Name: 6-[4-[2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]thiazol-4-yl]anilino]-6-keto-hexanoic acid Formula: C26H26F2N4O5S MolecularWeight: 544.570246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CCCCC(=O)O)NC(=O)CC3=CC(=CC(=C3)F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CCCCC(=O)O)NC(=O)CC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C26H26F2N4O5S/c1-15(29-23(34)12-16-10-18(27)13-19(28)11-16)25(37)32-26-31-21(14-38-26)17-6-8-20(9-7-17)30-22(33)4-2-3-5-24(35)36/h6-11,13-15H,2-5,12H2,1H3,(H,29,34)(H,30,33)(H,35,36)(H,31,32,37)/t15-/m0/s1