tert-butyl N-[(2S)-1-[(3S,3aS,6aR)-3-[[1-cyclobutyl-4-[[2-[[(1S)-3-methyl-2-oxidanylidene-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]amino]-3,4-bis(oxidanylidene)butan-2-yl]carbamoyl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-2-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(3S,3aS,6aR)-3-[[1-cyclobutyl-4-[[2-[[(1S)-3-methyl-2-oxidanylidene-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]amino]-3,4-bis(oxidanylidene)butan-2-yl]carbamoyl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-2-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3S,3aS,6aR)-3-[[1-(cyclobutylmethyl)-3-[[2-[[(1S)-3-methyl-2-oxo-1-phenyl-butyl]amino]-2-oxo-ethyl]amino]-2,3-dioxo-propyl]carbamoyl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-2-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[(3S,3aS,6aR)-3-[[[1-cyclobutyl-4-[[2-[[(1S)-3-methyl-2-oxo-1-phenylbutyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-oxomethyl]-2-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(3S,3aS,6aR)-3-[[1-cyclobutyl-4-[[2-[[(1S)-3-methyl-2-oxo-1-phenylbutyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]carbamoyl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(3S,3aS,6aR)-3-[[1-(cyclobutylmethyl)-2,3-diketo-3-[[2-keto-2-[[(1S)-2-keto-3-methyl-1-phenyl-butyl]amino]ethyl]amino]propyl]carbamoyl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-2-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C42H61N5O8 MolecularWeight: 763.96244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C1=CC=CC=C1)NC(=O)CNC(=O)C(=O)C(CC2CCC2)NC(=O)C3C4CC5(CC5)CC4CN3C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(=O)[C@H](C1=CC=CC=C1)NC(=O)CNC(=O)C(=O)C(CC2CCC2)NC(=O)[C@@H]3[C@H]4CC5(CC5)C[C@H]4CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C42H61N5O8/c1-24(2)33(49)31(26-15-10-9-11-16-26)45-30(48)22-43-37(52)34(50)29(19-25-13-12-14-25)44-36(51)32-28-21-42(17-18-42)20-27(28)23-47(32)38(53)35(40(3,4)5)46-39(54)55-41(6,7)8/h9-11,15-16,24-25,27-29,31-32,35H,12-14,17-23H2,1-8H3,(H,43,52)(H,44,51)(H,45,48)(H,46,54)/t27-,28-,29?,31-,32-,35+/m0/s1