(2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid

C174H272N30O53 — CID 177292922

About (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid

(2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid (PubChem CID 177292922) has the molecular formula C174H272N30O53 and a molecular weight of 3632.25 g/mol. Its IUPAC name is (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid
• PubChem CID: 177292922
• Molecular Formula: C174H272N30O53
• Molecular Weight: 3632.25 g/mol
• Exact Mass: 3629.95
• IUPAC Name: (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid
• SMILES: Cc1cc(C(=O)NC[C@@H](O)[C@@H](O)[C@@H]2O[C@@](CCN3CCOC[C@@]34CCN(C(=O)OC(C)(C)C)C4)(C(=O)O)C[C@H](O)C2NC(=O)Cn2cc(C3CCC(C(=O)NCCCOCCOCCOCCCNC(=O)CCC(CCC(=O)NCCCOCCOCCOCCCNC(=O)C4CCC(c5cn(CC(=O)NC6[C@H]([C@H](O)[C@H](O)CNC(=O)c7cc(C)c(O)c(C)c7)O[C@@](CCN7CCOC[C@@]78CCN(C(=O)OC(C)(C)C)C8)(C(=O)O)C[C@@H]6O)nn5)CC4)(CCC(=O)NCCCOCCOCCOCCCNC(=O)C4CCC(c5cn(CC(=O)N[C@H]6[C@H]([C@H](O)[C@H](O)CNC(=O)c7cc(C)c(O)c(C)c7)O[C@@](CCN7CCOC[C@@]78CCN(C(=O)OC(C)(C)C)C8)(C(=O)O)C[C@@H]6O)nn5)CC4)CC(=O)COCCN=[N+]=[N-])CC3)nn2)cc(C)c1O
• InChI: InChI=1S/C174H272N30O53/c1-110-84-122(85-111(2)144(110)218)156(227)182-94-132(209)147(221)150-141(129(206)91-172(252-150,159(230)231)43-56-199-59-69-249-107-169(199)40-53-196(104-169)162(236)255-165(7,8)9)186-138(215)100-202-97-126(189-193-202)116-22-28-119(29-23-116)153(224)179-49-19-65-242-75-81-245-78-72-239-62-16-46-176-135(212)34-37-168(90-125(205)103-248-68-52-185-192-175,38-35-136(213)177-47-17-63-240-73-79-246-82-76-243-66-20-50-180-154(225)120-30-24-117(25-31-120)127-98-203(194-190-127)101-139(216)187-142-130(207)92-173(160(232)233,44-57-200-60-70-250-108-170(200)41-54-197(105-170)163(237)256-166(10,11)12)253-151(142)148(222)133(210)95-183-157(228)123-86-112(3)145(219)113(4)87-123)39-36-137(214)178-48-18-64-241-74-80-247-83-77-244-67-21-51-181-155(226)121-32-26-118(27-33-121)128-99-204(195-191-128)102-140(217)188-143-131(208)93-174(161(234)235,45-58-201-61-71-251-109-171(201)42-55-198(106-171)164(238)257-167(13,14)15)254-152(143)149(223)134(211)96-184-158(229)124-88-114(5)146(220)115(6)89-124/h84-89,97-99,116-121,129-134,141-143,147-152,206-211,218-223H,16-83,90-96,100-109H2,1-15H3,(H,176,212)(H,177,213)(H,178,214)(H,179,224)(H,180,225)(H,181,226)(H,182,227)(H,183,228)(H,184,229)(H,186,215)(H,187,216)(H,188,217)(H,230,231)(H,232,233)(H,234,235)/t116?,117?,118?,119?,120?,121?,129-,130-,131-,132+,133+,134+,141+,142?,143?,147+,148+,149+,150+,151+,152+,168?,169-,170-,171-,172+,173+,174+/m0/s1
• InChIKey: MTOLHSDIOYSODU-RRNUNJAASA-N
• XLogP: 3.59
• TPSA: 1107.84 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 63
• Rotatable Bonds: 100
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3632.25
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid?

The IUPAC name of (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid (CID 177292922) is (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid.

What is the SMILES notation for (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid?

The canonical SMILES for (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid is Cc1cc(C(=O)NC[C@@H](O)[C@@H](O)[C@@H]2O[C@@](CCN3CCOC[C@@]34CCN(C(=O)OC(C)(C)C)C4)(C(=O)O)C[C@H](O)C2NC(=O)Cn2cc(C3CCC(C(=O)NCCCOCCOCCOCCCNC(=O)CCC(CCC(=O)NCCCOCCOCCOCCCNC(=O)C4CCC(c5cn(CC(=O)NC6[C@H]([C@H](O)[C@H](O)CNC(=O)c7cc(C)c(O)c(C)c7)O[C@@](CCN7CCOC[C@@]78CCN(C(=O)OC(C)(C)C)C8)(C(=O)O)C[C@@H]6O)nn5)CC4)(CCC(=O)NCCCOCCOCCOCCCNC(=O)C4CCC(c5cn(CC(=O)N[C@H]6[C@H]([C@H](O)[C@H](O)CNC(=O)c7cc(C)c(O)c(C)c7)O[C@@](CCN7CCOC[C@@]78CCN(C(=O)OC(C)(C)C)C8)(C(=O)O)C[C@@H]6O)nn5)CC4)CC(=O)COCCN=[N+]=[N-])CC3)nn2)cc(C)c1O.

What is the InChIKey of (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid?

The InChIKey is MTOLHSDIOYSODU-RRNUNJAASA-N. The full InChI is InChI=1S/C174H272N30O53/c1-110-84-122(85-111(2)144(110)218)156(227)182-94-132(209)147(221)150-141(129(206)91-172(252-150,159(230)231)43-56-199-59-69-249-107-169(199)40-53-196(104-169)162(236)255-165(7,8)9)186-138(215)100-202-97-126(189-193-202)116-22-28-119(29-23-116)153(224)179-49-19-65-242-75-81-245-78-72-239-62-16-46-176-135(212)34-37-168(90-125(205)103-248-68-52-185-192-175,38-35-136(213)177-47-17-63-240-73-79-246-82-76-243-66-20-50-180-154(225)120-30-24-117(25-31-120)127-98-203(194-190-127)101-139(216)187-142-130(207)92-173(160(232)233,44-57-200-60-70-250-108-170(200)41-54-197(105-170)163(237)256-166(10,11)12)253-151(142)148(222)133(210)95-183-157(228)123-86-112(3)145(219)113(4)87-123)39-36-137(214)178-48-18-64-241-74-80-247-83-77-244-67-21-51-181-155(226)121-32-26-118(27-33-121)128-99-204(195-191-128)102-140(217)188-143-131(208)93-174(161(234)235,45-58-201-61-71-251-109-171(201)42-55-198(106-171)164(238)257-167(13,14)15)254-152(143)149(223)134(211)96-184-158(229)124-88-114(5)146(220)115(6)89-124/h84-89,97-99,116-121,129-134,141-143,147-152,206-211,218-223H,16-83,90-96,100-109H2,1-15H3,(H,176,212)(H,177,213)(H,178,214)(H,179,224)(H,180,225)(H,181,226)(H,182,227)(H,183,228)(H,184,229)(H,186,215)(H,187,216)(H,188,217)(H,230,231)(H,232,233)(H,234,235)/t116?,117?,118?,119?,120?,121?,129-,130-,131-,132+,133+,134+,141+,142?,143?,147+,148+,149+,150+,151+,152+,168?,169-,170-,171-,172+,173+,174+/m0/s1.

What are the key properties of (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid?

(2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid has a molecular weight of 3632.25 g/mol, XLogP of 3.59, 100 rotatable bonds, 27 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[7-(2-azidoethoxy)-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,3R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-6-oxoheptanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]triazol-1-yl]acetyl]amino]-6-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-[2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxa-2,6-diazaspiro[4.5]decan-6-yl]ethyl]oxane-2-carboxylic acid is sourced from PubChem (CID 177292922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).