(3S)-4-oxidanylidene-3-[[(2S)-2-[[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethanoyl]amino]propanoyl]amino]-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid

Systemtic Name: (3S)-4-oxidanylidene-3-[[(2S)-2-[[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethanoyl]amino]propanoyl]amino]-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid Openeye Name: (3S)-4-oxo-3-[[(2S)-2-[[2-oxo-2-(2-phenylanilino)acetyl]amino]propanoyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: (3S)-3-[[(2S)-2-[[1,2-dioxo-2-(2-phenylanilino)ethyl]amino]-1-oxopropyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: (3S)-4-oxo-3-[[(2S)-2-[[2-oxo-2-(2-phenylanilino)acetyl]amino]propanoyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: (3S)-4-keto-3-[[(2S)-2-[[2-keto-2-(2-phenylanilino)acetyl]amino]propanoyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C28H23F4N3O7 MolecularWeight: 589.491733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C28H23F4N3O7/c1-14(33-27(40)28(41)34-19-10-6-5-9-16(19)15-7-3-2-4-8-15)26(39)35-20(12-22(37)38)21(36)13-42-25-23(31)17(29)11-18(30)24(25)32/h2-11,14,20H,12-13H2,1H3,(H,33,40)(H,34,41)(H,35,39)(H,37,38)/t14-,20-/m0/s1