(2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide)

C167H253N35O71 — CID 167546553

About (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide)

(2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide) (PubChem CID 167546553) has the molecular formula C167H253N35O71 and a molecular weight of 3887.03 g/mol. Its IUPAC name is (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide).

Molecular Properties

• Compound Name: (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide)
• PubChem CID: 167546553
• Molecular Formula: C167H253N35O71
• Molecular Weight: 3887.03 g/mol
• Exact Mass: 3884.73
• IUPAC Name: (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide)
• SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H](C(=O)NCCN)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](C[C@@H](CC3CCCCC3)C(=O)O)[C@H]2NC(=O)Cn2cc(COCC(COCc3cn(CC(=O)N[C@@H]4[C@@H](OCCC5CCCCC5)[C@@H](O)[C@@H](CO)C[C@H]4O[C@@H]4C[C@H](C(=O)NCCN)C[C@H](NC(=O)c5cc(=O)[nH]c(=O)[nH]5)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)(COCc3cn(CC(=O)N[C@H]4[C@H](O[C@@H]5C[C@H](C(=O)NCCN)C[C@H](NC(=O)c6cc(=O)[nH]c(=O)[nH]6)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H](O)[C@@H]4OCCC4CCCCC4)nn3)COCc3cn(CC(=O)O[C@H]4[C@H](O[C@@H]5C[C@H](C(=O)NCCN)C[C@H](NC(=O)C6CC(=O)NC(=O)N6)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H](O)[C@@H]4OCCC4CCCCC4)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C164H253N35O65.3CO2/c1-74-120(212)128(220)132(224)155(249-74)261-136-93(173-148(232)97-50-109(204)184-160(238)177-97)41-82(144(228)169-32-28-165)45-102(136)253-101-49-87(62-200)124(216)140(246-36-25-78-17-9-5-10-18-78)118(101)182-114(209)59-197-55-89(189-193-197)67-243-71-164(72-244-68-90-56-198(194-190-90)60-115(210)183-119-141(247-37-26-79-19-11-6-12-20-79)126(218)107(64-202)258-154(119)255-104-47-84(146(230)171-34-30-167)43-95(175-150(234)99-52-111(206)186-162(240)179-99)138(104)263-157-134(226)130(222)122(214)76(3)251-157,73-245-69-91-57-199(195-191-91)61-116(211)260-143-142(248-38-27-80-21-13-7-14-22-80)127(219)108(65-203)259-159(143)256-105-48-85(147(231)172-35-31-168)44-96(176-151(235)100-53-112(207)187-163(241)180-100)139(105)264-158-135(227)131(223)123(215)77(4)252-158)70-242-66-88-54-196(192-188-88)58-113(208)181-117-92(40-86(152(236)237)39-81-23-15-8-16-24-81)125(217)106(63-201)257-153(117)254-103-46-83(145(229)170-33-29-166)42-94(174-149(233)98-51-110(205)185-161(239)178-98)137(103)262-156-133(225)129(221)121(213)75(2)250-156;3*2-1-3/h50-52,54-57,74-87,92-96,100-108,117-143,153-159,200-203,212-227H,5-49,53,58-73,165-168H2,1-4H3,(H,169,228)(H,170,229)(H,171,230)(H,172,231)(H,173,232)(H,174,233)(H,175,234)(H,176,235)(H,181,208)(H,182,209)(H,183,210)(H,236,237)(H2,177,184,204,238)(H2,178,185,205,239)(H2,179,186,206,240)(H2,180,187,207,241);;;/t74-,75-,76-,77-,82+,83+,84+,85+,86+,87+,92+,93-,94-,95-,96-,100?,101+,102+,103+,104+,105+,106+,107+,108+,117+,118-,119+,120+,121+,122+,123+,124-,125+,126-,127-,128+,129+,130+,131+,132-,133-,134-,135-,136+,137+,138+,139+,140+,141+,142-,143+,153+,154+,155-,156-,157-,158-,159+,164?;;;/m0.../s1
• InChIKey: BWDDPXCWJMXOLL-XPANXVGUSA-N
• XLogP: -18.52
• TPSA: 1576.06 Ų
• H-Bond Donors: 44
• H-Bond Acceptors: 86
• Rotatable Bonds: 85
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3887.03
LogP ≤ 5	-18.52
H-Bond Donors ≤ 5	44
H-Bond Acceptors ≤ 10	86

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide)?

The IUPAC name of (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide) (CID 167546553) is (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide).

What is the SMILES notation for (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide)?

The canonical SMILES for (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide) is C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H](C(=O)NCCN)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](C[C@@H](CC3CCCCC3)C(=O)O)[C@H]2NC(=O)Cn2cc(COCC(COCc3cn(CC(=O)N[C@@H]4[C@@H](OCCC5CCCCC5)[C@@H](O)[C@@H](CO)C[C@H]4O[C@@H]4C[C@H](C(=O)NCCN)C[C@H](NC(=O)c5cc(=O)[nH]c(=O)[nH]5)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)(COCc3cn(CC(=O)N[C@H]4[C@H](O[C@@H]5C[C@H](C(=O)NCCN)C[C@H](NC(=O)c6cc(=O)[nH]c(=O)[nH]6)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H](O)[C@@H]4OCCC4CCCCC4)nn3)COCc3cn(CC(=O)O[C@H]4[C@H](O[C@@H]5C[C@H](C(=O)NCCN)C[C@H](NC(=O)C6CC(=O)NC(=O)N6)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H](O)[C@@H]4OCCC4CCCCC4)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide)?

The InChIKey is BWDDPXCWJMXOLL-XPANXVGUSA-N. The full InChI is InChI=1S/C164H253N35O65.3CO2/c1-74-120(212)128(220)132(224)155(249-74)261-136-93(173-148(232)97-50-109(204)184-160(238)177-97)41-82(144(228)169-32-28-165)45-102(136)253-101-49-87(62-200)124(216)140(246-36-25-78-17-9-5-10-18-78)118(101)182-114(209)59-197-55-89(189-193-197)67-243-71-164(72-244-68-90-56-198(194-190-90)60-115(210)183-119-141(247-37-26-79-19-11-6-12-20-79)126(218)107(64-202)258-154(119)255-104-47-84(146(230)171-34-30-167)43-95(175-150(234)99-52-111(206)186-162(240)179-99)138(104)263-157-134(226)130(222)122(214)76(3)251-157,73-245-69-91-57-199(195-191-91)61-116(211)260-143-142(248-38-27-80-21-13-7-14-22-80)127(219)108(65-203)259-159(143)256-105-48-85(147(231)172-35-31-168)44-96(176-151(235)100-53-112(207)187-163(241)180-100)139(105)264-158-135(227)131(223)123(215)77(4)252-158)70-242-66-88-54-196(192-188-88)58-113(208)181-117-92(40-86(152(236)237)39-81-23-15-8-16-24-81)125(217)106(63-201)257-153(117)254-103-46-83(145(229)170-33-29-166)42-94(174-149(233)98-51-110(205)185-161(239)178-98)137(103)262-156-133(225)129(221)121(213)75(2)250-156;3*2-1-3/h50-52,54-57,74-87,92-96,100-108,117-143,153-159,200-203,212-227H,5-49,53,58-73,165-168H2,1-4H3,(H,169,228)(H,170,229)(H,171,230)(H,172,231)(H,173,232)(H,174,233)(H,175,234)(H,176,235)(H,181,208)(H,182,209)(H,183,210)(H,236,237)(H2,177,184,204,238)(H2,178,185,205,239)(H2,179,186,206,240)(H2,180,187,207,241);;;/t74-,75-,76-,77-,82+,83+,84+,85+,86+,87+,92+,93-,94-,95-,96-,100?,101+,102+,103+,104+,105+,106+,107+,108+,117+,118-,119+,120+,121+,122+,123+,124-,125+,126-,127-,128+,129+,130+,131+,132-,133-,134-,135-,136+,137+,138+,139+,140+,141+,142-,143+,153+,154+,155-,156-,157-,158-,159+,164?;;;/m0.../s1.

What are the key properties of (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide)?

(2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide) has a molecular weight of 3887.03 g/mol, XLogP of -18.52, 85 rotatable bonds, 44 hydrogen bond donors, and 86 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2R,3R,4R,5R,6R)-3-[[2-[4-[[2-[[1-[2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-oxoethyl]triazol-4-yl]methoxymethyl]-2-[[1-[2-[[(1S,2R,3S,4R,6R)-6-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-2-(2-cyclohexylethoxy)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]acetyl]amino]-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-3-cyclohexylpropanoic acid;tris(carbon dioxide) is sourced from PubChem (CID 167546553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).