About (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid
(2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid (PubChem CID 126456229) has the molecular formula C171H267N51O53S2
and a molecular weight of 3949.45 g/mol. Its IUPAC name is (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid.
Frequently Asked Questions
What is the IUPAC name of (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid?
The IUPAC name of (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid (CID 126456229) is (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid.
What is the SMILES notation for (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid?
The canonical SMILES for (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid is [H]/N=C(\O)CC[C@H](/N=C(\O)[C@@H](/N=C(\O)[C@H](C)/N=C(\O)[C@@H]1CSSC[C@H](/N=C(\O)[C@@H](N)CCCCN)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N\[C@@H]([C@@H](C)O)/C(O)=N/[C@@H](C)/C(O)=N/[C@@H]([C@@H](C)O)/C(O)=N/1)[C@@H](C)O)/C(O)=N/[C@@H](CCCN/C(N)=N/[H])/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@H](/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/CC(=O)N1CCC[C@H]1/C(O)=N/[C@H](/C(O)=N/[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1/C(O)=N/[C@H](/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@H](/C(O)=N/C/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@H](/C(O)=N/[C@@H](Cc1ccc(O)cc1)/C(O)=N/[H])[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C.
What is the InChIKey of (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid?
The InChIKey is TZIRZGBAFTZREM-MKAGXXMWSA-N. The full InChI is InChI=1S/C171H267N51O53S2/c1-21-81(12)130(163(268)207-110(56-78(6)7)169(274)222-53-33-42-118(222)170(275)221-52-32-41-117(221)160(265)219-135(89(20)230)167(272)206-109(66-125(180)238)151(256)212-128(79(8)9)161(266)186-68-126(239)192-111(70-223)154(259)203-107(64-123(178)236)152(257)218-134(88(19)229)166(271)195-98(136(181)241)57-92-43-45-94(231)46-44-92)214-159(264)116-40-31-51-220(116)127(240)69-187-141(246)101(58-90-34-24-22-25-35-90)199-148(253)105(62-121(176)234)201-149(254)106(63-122(177)235)202-155(260)112(71-224)209-156(261)113(72-225)208-146(251)103(60-93-67-184-75-188-93)205-162(267)129(80(10)11)213-150(255)100(55-77(4)5)198-145(250)102(59-91-36-26-23-27-37-91)200-147(252)104(61-120(175)233)196-137(242)82(13)189-144(249)99(54-76(2)3)197-142(247)96(39-30-50-185-171(182)183)193-143(248)97(47-48-119(174)232)194-165(270)132(86(17)227)215-138(243)83(14)190-157(262)114-73-276-277-74-115(210-140(245)95(173)38-28-29-49-172)158(263)204-108(65-124(179)237)153(258)217-131(85(16)226)164(269)191-84(15)139(244)216-133(87(18)228)168(273)211-114/h22-27,34-37,43-46,67,75-89,95-118,128-135,223-231H,21,28-33,38-42,47-66,68-74,172-173H2,1-20H3,(H2,174,232)(H2,175,233)(H2,176,234)(H2,177,235)(H2,178,236)(H2,179,237)(H2,180,238)(H2,181,241)(H,184,188)(H,186,266)(H,187,246)(H,189,249)(H,190,262)(H,191,269)(H,192,239)(H,193,248)(H,194,270)(H,195,271)(H,196,242)(H,197,247)(H,198,250)(H,199,253)(H,200,252)(H,201,254)(H,202,260)(H,203,259)(H,204,263)(H,205,267)(H,206,272)(H,207,268)(H,208,251)(H,209,261)(H,210,245)(H,211,273)(H,212,256)(H,213,255)(H,214,264)(H,215,243)(H,216,244)(H,217,258)(H,218,257)(H,219,265)(H4,182,183,185)/t81-,82-,83-,84-,85+,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,128-,129-,130-,131-,132-,133-,134-,135-/m0/s1.
What are the key properties of (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid?
(2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid has a molecular weight of 3949.45 g/mol, XLogP of 12.30, 109 rotatable bonds, 64 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid is sourced from PubChem (CID 126456229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).