(3S,3aS,6aS)-2-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[1-cyclopropyl-3,4-bis(oxidanylidene)-4-(prop-2-enylamino)butan-2-yl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide

Systemtic Name: (3S,3aS,6aS)-2-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[1-cyclopropyl-3,4-bis(oxidanylidene)-4-(prop-2-enylamino)butan-2-yl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide Openeye Name: (3S,3aS,6aS)-N-[3-(allylamino)-1-(cyclopropylmethyl)-2,3-dioxo-propyl]-2-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide CAS Name: (3S,3aS,6aS)-2-[(2S)-2-[[[[1-(tert-butylsulfonylmethyl)cyclohexyl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]carboxamide IUPAC Name: (3S,3aS,6aS)-2-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide Traditional Name: (3S,3aS,6aS)-N-[3-(allylamino)-1-(cyclopropylmethyl)-2,3-diketo-propyl]-2-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide Formula: C38H61N5O7S MolecularWeight: 731.98524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC2C(C1C(=O)NC(CC3CC3)C(=O)C(=O)NCC=C)CCC24CC4)NC(=O)NC5(CCCCC5)CS(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CC3)C(=O)C(=O)NCC=C)CCC24CC4)NC(=O)NC5(CCCCC5)CS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C38H61N5O7S/c1-8-20-39-32(46)29(44)27(21-24-12-13-24)40-31(45)28-25-14-17-37(18-19-37)26(25)22-43(28)33(47)30(35(2,3)4)41-34(48)42-38(15-10-9-11-16-38)23-51(49,50)36(5,6)7/h8,24-28,30H,1,9-23H2,2-7H3,(H,39,46)(H,40,45)(H2,41,42,48)/t25-,26-,27?,28-,30+/m0/s1