(3S,3aS,6aS)-2-[(2S)-2-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]ethanoyl]-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-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]ethanoyl]-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-cyclohexyl-2-[[(1S)-2,2-dimethyl-1-[[methyl(methylsulfonyl)amino]methyl]propyl]carbamoylamino]acetyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide CAS Name: (3S,3aS,6aS)-2-[(2S)-2-cyclohexyl-2-[[[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-oxomethyl]amino]-1-oxoethyl]-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-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]acetyl]-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-cyclohexyl-2-[[(1S)-1-[[mesyl(methyl)amino]methyl]-2,2-dimethyl-propyl]carbamoylamino]acetyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide Formula: C37H60N6O7S MolecularWeight: 732.9733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN(C)S(=O)(=O)C)NC(=O)NC(C1CCCCC1)C(=O)N2CC3C(C2C(=O)NC(CC4CC4)C(=O)C(=O)NCC=C)CCC35CC5

Isomeric SMILES

CC(C)(C)[C@@H](CN(C)S(=O)(=O)C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)NCC=C)CCC35CC5

InChI

InChI=1S/C37H60N6O7S/c1-7-19-38-33(46)31(44)27(20-23-13-14-23)39-32(45)30-25-15-16-37(17-18-37)26(25)21-43(30)34(47)29(24-11-9-8-10-12-24)41-35(48)40-28(36(2,3)4)22-42(5)51(6,49)50/h7,23-30H,1,8-22H2,2-6H3,(H,38,46)(H,39,45)(H2,40,41,48)/t25-,26-,27?,28+,29-,30-/m0/s1