3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethanoylamino]-1H-pyrazol-5-yl]carbonylamino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-1H-pyrazole-5-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethanoylamino]-1H-pyrazol-5-yl]carbonylamino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-1H-pyrazole-5-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[3-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]-1H-pyrazole-5-carbonyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-1H-pyrazole-5-carboxylic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[[3-[[2-[2-(2-methoxyethoxy)ethoxy]-1-oxoethyl]amino]-1H-pyrazol-5-yl]-oxomethyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1H-pyrazole-5-carboxylic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[3-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]-1H-pyrazole-5-carbonyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-1H-pyrazole-5-carboxylic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[3-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]-1H-pyrazole-5-carbonyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-1H-pyrazole-5-carboxylic acid; 2,2,2-trifluoroacetic acid Formula: C43H62F3N11O13 MolecularWeight: 998.01349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NNC(=C2)C(=O)O)NC(=O)C(CCCCN)NC(=O)C3=CC(=NN3)NC(=O)COCCOCCOC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=NNC(=C2)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C3=CC(=NN3)NC(=O)COCCOCCOC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C41H61N11O11.C2HF3O2/c1-24(2)19-28(44-36(54)27(13-9-10-14-42)43-39(57)30-21-32(51-49-30)46-34(53)23-63-18-17-62-16-15-61-5)38(56)48-35(25(3)4)40(58)45-29(20-26-11-7-6-8-12-26)37(55)47-33-22-31(41(59)60)50-52-33;3-2(4,5)1(6)7/h6-8,11-12,21-22,24-25,27-29,35H,9-10,13-20,23,42H2,1-5H3,(H,43,57)(H,44,54)(H,45,58)(H,48,56)(H,59,60)(H2,46,49,51,53)(H2,47,50,52,55);(H,6,7)/t27-,28-,29-,35-;/m0./s1