2-[[1-[2-[[1-[[2-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4,5,6-tetrakis(fluoranyl)benzoic acid

Systemtic Name: 2-[[1-[2-[[1-[[2-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4,5,6-tetrakis(fluoranyl)benzoic acid Openeye Name: 2-[[1-[2-[1-[2-[[2-[(2-amino-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butylcarbamoyl]-4-tert-butoxy-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamoyl]-3,4,5,6-tetrafluoro-benzoic acid CAS Name: 2-[[[1-[2-[[[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-oxomethyl]-4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxomethyl]-3,4,5,6-tetrafluorobenzoic acid IUPAC Name: 2-[[1-[2-[[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-3,4,5,6-tetrafluorobenzoic acid Traditional Name: 2-[[1-[2-[1-[2-[[2-[(2-amino-2-keto-1-phenyl-ethyl)amino]-2-keto-ethyl]amino]-2-keto-acetyl]butylcarbamoyl]-4-tert-butoxy-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamoyl]-3,4,5,6-tetrafluoro-benzoic acid Formula: C39H48F4N6O10 MolecularWeight: 836.826233

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)C(=O)O)OC(C)(C)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)C(=O)O)OC(C)(C)C

InChI

InChI=1S/C39H48F4N6O10/c1-8-12-20(30(51)35(55)45-16-22(50)47-29(32(44)52)18-13-10-9-11-14-18)46-33(53)21-15-19(59-39(5,6)7)17-49(21)36(56)31(38(2,3)4)48-34(54)23-24(37(57)58)26(41)28(43)27(42)25(23)40/h9-11,13-14,19-21,29,31H,8,12,15-17H2,1-7H3,(H2,44,52)(H,45,55)(H,46,53)(H,47,50)(H,48,54)(H,57,58)