(2S)-2-(methylamino)-N-[(2S,3R)-3-[6-[(2R,3S)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-4-[(2S)-2-[[1,1,1-tris(fluoranyl)-2-oxidanylidene-5-phenyl-pentan-3-yl]amino]pyrrolidin-1-yl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxidanylidene-1-[(2S)-2-[[phenethyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]pyrrolidin-1-yl]butan-2-yl]propanamide

Systemtic Name: (2S)-2-(methylamino)-N-[(2S,3R)-3-[6-[(2R,3S)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-4-[(2S)-2-[[1,1,1-tris(fluoranyl)-2-oxidanylidene-5-phenyl-pentan-3-yl]amino]pyrrolidin-1-yl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxidanylidene-1-[(2S)-2-[[phenethyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]pyrrolidin-1-yl]butan-2-yl]propanamide Openeye Name: (2S)-2-(methylamino)-N-[(1S,2R)-2-[6-[(1R,2S)-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxo-3-[(2S)-2-[(3,3,3-trifluoro-2-oxo-1-phenethyl-propyl)amino]pyrrolidin-1-yl]propoxy]hexa-2,4-diynoxy]-1-[(2S)-2-[[phenethyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carbonyl]propyl]propanamide CAS Name: (2S)-2-(methylamino)-N-[(2S,3R)-3-[6-[(2R,3S)-3-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-4-oxo-4-[(2S)-2-[(1,1,1-trifluoro-2-oxo-5-phenylpentan-3-yl)amino]-1-pyrrolidinyl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxo-1-[(2S)-2-[[phenethyl-(2,2,2-trifluoro-1-oxoethyl)amino]methyl]-1-pyrrolidinyl]butan-2-yl]propanamide IUPAC Name: (2S)-2-(methylamino)-N-[(2S,3R)-3-[6-[(2R,3S)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxo-4-[(2S)-2-[(1,1,1-trifluoro-2-oxo-5-phenylpentan-3-yl)amino]pyrrolidin-1-yl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxo-1-[(2S)-2-[[phenethyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]butan-2-yl]propanamide Traditional Name: (2S)-N-[(1S,2R)-2-[6-[(1R,2S)-3-keto-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-[(2S)-2-[(3,3,3-trifluoro-2-keto-1-phenethyl-propyl)amino]pyrrolidino]propoxy]hexa-2,4-diynoxy]-1-[(2S)-2-[[phenethyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carbonyl]propyl]-2-(methylamino)propionamide Formula: C52H68F6N8O8 MolecularWeight: 1047.135539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1CN(CCC2=CC=CC=C2)C(=O)C(F)(F)F)NC(=O)C(C)NC)OCC#CC#CCOC(C)C(C(=O)N3CCCC3NC(CCC4=CC=CC=C4)C(=O)C(F)(F)F)NC(=O)C(C)NC

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1CN(CCC2=CC=CC=C2)C(=O)C(F)(F)F)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N3CCC[C@H]3NC(CCC4=CC=CC=C4)C(=O)C(F)(F)F)NC(=O)[C@H](C)NC

InChI

InChI=1S/C52H68F6N8O8/c1-34(59-5)46(68)62-43(48(70)65-28-17-23-40(65)33-64(50(72)52(56,57)58)30-27-39-21-13-10-14-22-39)36(3)73-31-15-7-8-16-32-74-37(4)44(63-47(69)35(2)60-6)49(71)66-29-18-24-42(66)61-41(45(67)51(53,54)55)26-25-38-19-11-9-12-20-38/h9-14,19-22,34-37,40-44,59-61H,17-18,23-33H2,1-6H3,(H,62,68)(H,63,69)/t34-,35-,36+,37+,40-,41?,42-,43-,44-/m0/s1