[(2S)-1-oxidanylidene-1-[[(2S)-4-oxidanylidene-4-[(2R)-4-oxidanylidene-4-[[(2S)-4-oxidanylidene-4-[(2R)-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]butan-2-yl]oxy-butan-2-yl]amino]butan-2-yl]oxy-butan-2-yl]amino]propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-4-oxidanylidene-4-[(2R)-4-oxidanylidene-4-[[(2S)-4-oxidanylidene-4-[(2R)-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]butan-2-yl]oxy-butan-2-yl]amino]butan-2-yl]oxy-butan-2-yl]amino]propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-2-[[(1S)-3-[(1R)-3-[[(1S)-3-[(1R)-3-[[(1S)-1-benzyloxycarbonyl-5-(benzyloxycarbonylamino)pentyl]amino]-1-methyl-3-oxo-propoxy]-1-methyl-3-oxo-propyl]amino]-1-methyl-3-oxo-propoxy]-1-methyl-3-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-1-oxo-1-[[(2S)-4-oxo-4-[(2R)-4-oxo-4-[[(2S)-4-oxo-4-[(2R)-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]butan-2-yl]oxybutan-2-yl]amino]butan-2-yl]oxybutan-2-yl]amino]propan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-1-oxo-1-[[(2S)-4-oxo-4-[(2R)-4-oxo-4-[[(2S)-4-oxo-4-[(2R)-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]butan-2-yl]oxybutan-2-yl]amino]butan-2-yl]oxybutan-2-yl]amino]propan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-2-[[(1S)-3-[(1R)-3-[[(1S)-3-[(1R)-3-[[(1S)-5-(benzyloxycarbonylamino)-1-carbobenzoxy-pentyl]amino]-3-keto-1-methyl-propoxy]-3-keto-1-methyl-propyl]amino]-3-keto-1-methyl-propoxy]-3-keto-1-methyl-propyl]amino]-2-keto-1-methyl-ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C42H58F3N5O13 MolecularWeight: 897.93083

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CC(C)OC(=O)CC(C)NC(=O)C(C)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[C@@H](CC(=O)O[C@H](C)CC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)C[C@@H](C)OC(=O)C[C@H](C)NC(=O)[C@H](C)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C40H57N5O11.C2HF3O2/c1-26(43-34(46)22-28(3)55-37(49)21-27(2)44-38(50)30(5)41)20-36(48)56-29(4)23-35(47)45-33(39(51)53-24-31-14-8-6-9-15-31)18-12-13-19-42-40(52)54-25-32-16-10-7-11-17-32;3-2(4,5)1(6)7/h6-11,14-17,26-30,33H,12-13,18-25,41H2,1-5H3,(H,42,52)(H,43,46)(H,44,50)(H,45,47);(H,6,7)/t26-,27-,28+,29+,30-,33-;/m0./s1