(2S)-2-[[(2S)-2-[2-[[9,10-bis(oxidanylidene)-4-[2-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]ethylamino]-5,8-bis[2,2,2-tris(fluoranyl)ethanoyloxy]anthracen-1-yl]amino]ethylamino]propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[9,10-bis(oxidanylidene)-4-[2-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]ethylamino]-5,8-bis[2,2,2-tris(fluoranyl)ethanoyloxy]anthracen-1-yl]amino]ethylamino]propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[2-[[4-[2-[[(1S)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]ethylamino]-9,10-dioxo-5,8-bis[(2,2,2-trifluoroacetyl)oxy]-1-anthryl]amino]ethylamino]propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[2-[[4-[2-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]ethylamino]-9,10-dioxo-5,8-bis(2,2,2-trifluoro-1-oxoethoxy)-1-anthracenyl]amino]ethylamino]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[2-[[4-[2-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]ethylamino]-9,10-dioxo-5,8-bis[(2,2,2-trifluoroacetyl)oxy]anthracen-1-yl]amino]ethylamino]propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[2-[[4-[2-[[(1S)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]amino]ethylamino]-9,10-diketo-5,8-bis[(2,2,2-trifluoroacetyl)oxy]-1-anthryl]amino]ethylamino]propanoyl]amino]propionic acid Formula: C34H36F6N6O12 MolecularWeight: 834.673059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)O)NCCNC1=C2C(=C(C=C1)NCCNC(C)C(=O)NC(C)C(=O)O)C(=O)C3=C(C=CC(=C3C2=O)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)O)NCCNC1=C2C(=C(C=C1)NCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C(=O)C3=C(C=CC(=C3C2=O)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

InChI

InChI=1S/C34H36F6N6O12/c1-13(27(49)45-15(3)29(51)52)41-9-11-43-17-5-6-18(44-12-10-42-14(2)28(50)46-16(4)30(53)54)22-21(17)25(47)23-19(57-31(55)33(35,36)37)7-8-20(24(23)26(22)48)58-32(56)34(38,39)40/h5-8,13-16,41-44H,9-12H2,1-4H3,(H,45,49)(H,46,50)(H,51,52)(H,53,54)/t13-,14-,15-,16-/m0/s1