(2S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1-cyclobutyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3,4-bis(oxidanylidene)butan-2-yl]-3-azabicyclo[2.2.1]heptane-2-carboxamide

Systemtic Name: (2S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1-cyclobutyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3,4-bis(oxidanylidene)butan-2-yl]-3-azabicyclo[2.2.1]heptane-2-carboxamide Openeye Name: (2S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-(cyclobutylmethyl)-3-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2,3-dioxo-propyl]-3-azabicyclo[2.2.1]heptane-2-carboxamide CAS Name: (2S)-3-[(2S)-2-[[(tert-butylamino)-oxomethyl]amino]-2-cyclohexyl-1-oxoethyl]-N-[1-cyclobutyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-3-azabicyclo[2.2.1]heptane-2-carboxamide IUPAC Name: (2S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-cyclobutyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-3-azabicyclo[2.2.1]heptane-2-carboxamide Traditional Name: (2S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-(cyclobutylmethyl)-3-[[2-[[(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2,3-diketo-propyl]-3-azabicyclo[2.2.1]heptane-2-carboxamide Formula: C40H59N7O7 MolecularWeight: 749.93916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(C1CCCCC1)C(=O)N2C3CCC(C3)C2C(=O)NC(CC4CCC4)C(=O)C(=O)NCC(=O)NC(C5=CC=CC=C5)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N2[C@@H](C3CCC2C3)C(=O)NC(CC4CCC4)C(=O)C(=O)NCC(=O)N[C@@H](C5=CC=CC=C5)C(=O)N(C)C

InChI

InChI=1S/C40H59N7O7/c1-40(2,3)45-39(54)44-32(26-17-10-7-11-18-26)38(53)47-28-20-19-27(22-28)33(47)35(50)42-29(21-24-13-12-14-24)34(49)36(51)41-23-30(48)43-31(37(52)46(4)5)25-15-8-6-9-16-25/h6,8-9,15-16,24,26-29,31-33H,7,10-14,17-23H2,1-5H3,(H,41,51)(H,42,50)(H,43,48)(H2,44,45,54)/t27?,28?,29?,31-,32-,33-/m0/s1