(2R)-6-azanyl-2-[2-[2-[4-[(3R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]sulfanyl-4-oxidanylidene-azetidin-2-yl]phenoxy]ethanoylamino]ethanoylamino]hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[2-[2-[4-[(3R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]sulfanyl-4-oxidanylidene-azetidin-2-yl]phenoxy]ethanoylamino]ethanoylamino]hexanoic acid Openeye Name: (2R)-6-amino-2-[[2-[[2-[4-[(3R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxy-ethyl]sulfanyl-4-oxo-azetidin-2-yl]phenoxy]acetyl]amino]acetyl]amino]hexanoic acid CAS Name: (2R)-6-amino-2-[[2-[[2-[4-[(3R)-1-(4-fluorophenyl)-3-[[2-(4-fluorophenyl)-2-hydroxyethyl]thio]-4-oxo-2-azetidinyl]phenoxy]-1-oxoethyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2R)-6-amino-2-[[2-[[2-[4-[(3R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanyl-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2R)-6-amino-2-[[2-[[2-[4-[(3R)-1-(4-fluorophenyl)-3-[[2-(4-fluorophenyl)-2-hydroxy-ethyl]thio]-4-keto-azetidin-2-yl]phenoxy]acetyl]amino]acetyl]amino]hexanoic acid Formula: C33H36F2N4O7S MolecularWeight: 670.723346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)SCC(C4=CC=C(C=C4)F)O)OCC(=O)NCC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2[C@H](C(=O)N2C3=CC=C(C=C3)F)SCC(C4=CC=C(C=C4)F)O)OCC(=O)NCC(=O)N[C@H](CCCCN)C(=O)O

InChI

InChI=1S/C33H36F2N4O7S/c34-22-8-4-20(5-9-22)27(40)19-47-31-30(39(32(31)43)24-12-10-23(35)11-13-24)21-6-14-25(15-7-21)46-18-29(42)37-17-28(41)38-26(33(44)45)3-1-2-16-36/h4-15,26-27,30-31,40H,1-3,16-19,36H2,(H,37,42)(H,38,41)(H,44,45)/t26-,27?,30?,31-/m1/s1