(2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[2-[2-(trifluoromethyl)phenyl]ethanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanamide

Systemtic Name: (2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[2-[2-(trifluoromethyl)phenyl]ethanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanamide Openeye Name: (2S)-N-[(1R)-2-[[(1S)-2-[(2R)-2-[[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]methyl]pyrrolidin-1-yl]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanamide CAS Name: (2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-[[1-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]amino]propyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide Traditional Name: (2S)-N-[(1R)-2-[[(1S)-2-[(2R)-2-[[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]methyl]pyrrolidino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butyramide Formula: C57H69F3N14O8 MolecularWeight: 1135.24197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2CNC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CN=CN6)NC(=O)CC7=CC=CC=C7C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@@H]2CN[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)NC(=O)CC7=CC=CC=C7C(F)(F)F

InChI

InChI=1S/C57H69F3N14O8/c1-32(2)49(55(81)69-33(3)51(77)72-47(25-39-28-63-31-67-39)56(82)74-20-12-16-40(74)29-65-44(50(61)76)21-35-13-6-5-7-14-35)73-52(78)34(4)68-53(79)45(22-37-26-64-43-19-11-9-17-41(37)43)71-54(80)46(24-38-27-62-30-66-38)70-48(75)23-36-15-8-10-18-42(36)57(58,59)60/h5-11,13-15,17-19,26-28,30-34,40,44-47,49,64-65H,12,16,20-25,29H2,1-4H3,(H2,61,76)(H,62,66)(H,63,67)(H,68,79)(H,69,81)(H,70,75)(H,71,80)(H,72,77)(H,73,78)/t33-,34+,40-,44+,45+,46+,47+,49+/m1/s1