(3S,3aS,6aS)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)heptan-3-yl]-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

Systemtic Name: (3S,3aS,6aS)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)heptan-3-yl]-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 Openeye Name: (3S,3aS,6aS)-N-[1-[2-(allylamino)-2-oxo-acetyl]pentyl]-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-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-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-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide Traditional Name: (3S,3aS,6aS)-N-[1-[2-(allylamino)-2-keto-acetyl]pentyl]-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: C38H63N5O7S MolecularWeight: 734.00112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)NCC=C)NC(=O)C1C2CCC3(C2CN1C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C)CC3

Isomeric SMILES

CCCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@H]2CCC3([C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C)CC3

InChI

InChI=1S/C38H63N5O7S/c1-9-11-15-27(29(44)32(46)39-22-10-2)40-31(45)28-25-16-19-37(20-21-37)26(25)23-43(28)33(47)30(35(3,4)5)41-34(48)42-38(17-13-12-14-18-38)24-51(49,50)36(6,7)8/h10,25-28,30H,2,9,11-24H2,1,3-8H3,(H,39,46)(H,40,45)(H2,41,42,48)/t25-,26-,27?,28-,30+/m0/s1