(2S)-2-[[(2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazol-5-yl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]-6-azanyl-hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazol-5-yl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]-6-azanyl-hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carbonyl]amino]-6-amino-hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[3-[[(3-acetamido-1H-pyrazol-5-yl)-oxomethyl]amino]-1H-pyrazol-5-yl]-oxomethyl]amino]-6-amino-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carbonyl]amino]-6-aminohexanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carbonyl]amino]-6-amino-hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid; 2,2,2-trifluoroacetic acid Formula: C36H41F3N10O9 MolecularWeight: 814.76755

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NNC(=C1)C(=O)NC2=NNC(=C2)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)NC1=NNC(=C1)C(=O)NC2=NNC(=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H40N10O7.C2HF3O2/c1-20(45)36-28-18-26(42-43-28)33(49)40-29-19-25(41-44-29)32(48)37-23(14-8-9-15-35)30(46)38-24(16-21-10-4-2-5-11-21)31(47)39-27(34(50)51)17-22-12-6-3-7-13-22;3-2(4,5)1(6)7/h2-7,10-13,18-19,23-24,27H,8-9,14-17,35H2,1H3,(H,37,48)(H,38,46)(H,39,47)(H,50,51)(H2,36,42,43,45)(H2,40,41,44,49);(H,6,7)/t23-,24-,27-;/m0./s1