About (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate
(2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate (PubChem CID 172964343) has the molecular formula C283H391Cl2N27O71S9
and a molecular weight of 5666.87 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate.
Frequently Asked Questions
What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate (CID 172964343) is (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCSSC(C)(C)CC(=O)C/N=C2\CCOc3cc(OCCCC(=O)ON4C(=O)CCC4=O)ccc32)C(C)C)cc1)C(C)C.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)(C)CC(=O)N/N=C2\CCS(=O)(=O)c3cc(OCCCC(=O)ON4C(=O)CCC4=O)ccc32)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2.CO[C@@H]1/C=C\C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)(C)CC(=O)N/N=C2\CCCN(C)c3cc(OCCCC(=O)ON4C(=O)CCC4=O)ccc32)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2.CO[C@H]([C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCSSC(C)(C)CC(=O)C/N=C2\CCOc3cc(OCCCC(=O)ON4C(=O)CCC4=O)cc(O)c32)C(C)C)cc1)C(C)C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate?
The InChIKey is FDJNXVNEUQFGMK-UMIICDQYSA-N. The full InChI is InChI=1S/C84H121N7O19S2.C83H119N7O20S2.C59H78ClN7O15S2.C57H73ClN6O17S3/c1-18-53(8)78(70(105-16)46-74(99)90-38-22-26-65(90)80(106-17)56(11)66(93)42-54(9)79(101)58-24-20-19-21-25-58)88(14)82(103)63(50(2)3)45-68(95)77(52(6)7)89(15)83(104)109-49-57-28-30-59(31-29-57)86-81(102)55(10)43-67(94)76(51(4)5)87-71(96)37-41-111-112-84(12,13)47-60(92)48-85-64-36-40-108-69-44-61(32-33-62(64)69)107-39-23-27-75(100)110-91-72(97)34-35-73(91)98;1-48(2)60(81(103)87(14)77(51(7)8)68(105-16)44-72(99)89-35-21-25-62(89)79(106-17)54(11)63(92)39-52(9)78(101)56-23-19-18-20-24-56)43-66(95)76(50(5)6)88(15)82(104)109-47-55-27-29-57(30-28-55)85-80(102)53(10)40-65(94)75(49(3)4)86-69(96)34-38-111-112-83(12,13)45-58(91)46-84-61-33-37-108-67-42-59(41-64(93)74(61)67)107-36-22-26-73(100)110-90-70(97)31-32-71(90)98;1-34-15-12-17-45(77-11)59(76)32-44(79-56(75)61-59)36(3)54-58(7,81-54)46(31-51(72)66(10)43-29-38(27-34)28-35(2)53(43)60)80-55(74)37(4)65(9)48(69)23-26-83-84-57(5,6)33-47(68)63-62-41-16-13-24-64(8)42-30-39(19-20-40(41)42)78-25-14-18-52(73)82-67-49(70)21-22-50(67)71;1-32-13-11-14-43(76-10)57(73)30-41(78-54(72)59-57)34(3)52-56(7,80-52)44(29-49(69)63(9)40-27-36(25-32)26-33(2)51(40)58)79-53(71)35(4)62(8)46(66)20-23-82-83-55(5,6)31-45(65)61-60-39-21-24-84(74,75)42-28-37(16-17-38(39)42)77-22-12-15-50(70)81-64-47(67)18-19-48(64)68/h19-21,24-25,28-33,44,50-56,63,65,70,76-80,101H,18,22-23,26-27,34-43,45-49H2,1-17H3,(H,86,102)(H,87,96);18-20,23-24,27-30,41-42,48-54,60,62,68,75-79,93,101H,21-22,25-26,31-40,43-47H2,1-17H3,(H,85,102)(H,86,96);12,15,17,19-20,28-30,36-37,44-46,54,76H,13-14,16,18,21-27,31-33H2,1-11H3,(H,61,75)(H,63,68);11,13-14,16-17,26-28,34-35,41,43-44,52,73H,12,15,18-25,29-31H2,1-10H3,(H,59,72)(H,61,65)/b85-64+;84-61+;17-12-,34-15-,62-41+;14-11+,32-13+,60-39+/t53-,54-,55+,56-,63-,65-,70+,76-,77-,78-,79+,80+;52-,53+,54-,60-,62-,68+,75-,76-,77-,78+,79+;36-,37+,44+,45-,46+,54+,58+,59+;34-,35+,41+,43-,44+,52+,56+,57+/m0011/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate has a molecular weight of 5666.87 g/mol, XLogP of 36.77, 127 rotatable bonds, 13 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[[(4E)-4-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1,1-dioxo-2,3-dihydrothiochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-5-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]hydrazinylidene]-1-methyl-3,4-dihydro-2H-1-benzazepin-8-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-hydroxy-4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3S,4R)-6-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[4-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]imino-2,3-dihydrochromen-7-yl]oxy]butanoate is sourced from PubChem (CID 172964343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).