3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide

C120H196N30O52 — CID 158405280

About 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide

3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 158405280) has the molecular formula C120H196N30O52 and a molecular weight of 2891.05 g/mol. Its IUPAC name is 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 158405280
• Molecular Formula: C120H196N30O52
• Molecular Weight: 2891.05 g/mol
• Exact Mass: 2889.36
• IUPAC Name: 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
• SMILES: CC(=O)NC1C(O)[C@H](O)C(CO)O[C@H]1OCC1O[C@H](OC(C)C(NC(=O)C(C)CO)C(=O)NC(C)C(=O)N2CCCC2C(=O)N2CCCC2C(=O)NC(C)C(N)=O)C(NC(C)=O)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H]1O.CNC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O[C@H]1O[C@@H](CO)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@@H](O)C(O)C2NC(C)=O)C1NC(C)=O)C(C)O
• InChI: InChI=1S/C74H120N22O29.C46H76N8O23/c1-31(2)51(91-49(104)26-81-60(110)39(75)22-38-24-79-30-83-38)66(116)93-53(35(6)122-73-55(87-37(8)102)59(57(108)47(29-99)124-73)125-72-54(86-36(7)101)58(109)56(107)46(28-98)123-72)68(118)90-42(27-97)62(112)84-32(3)69(119)95-20-12-17-45(95)65(115)89-41(23-50(105)106)61(111)92-52(34(5)100)67(117)88-40(14-10-18-80-74(76)77)71(121)96-21-13-16-44(96)64(114)85-33(4)70(120)94-19-11-15-43(94)63(113)82-25-48(103)78-9;1-17(13-55)39(67)52-28(41(69)49-19(3)42(70)54-12-8-10-24(54)43(71)53-11-7-9-23(53)40(68)48-18(2)38(47)66)20(4)73-45-30(51-22(6)59)37(77-46-36(65)35(64)32(61)26(15-57)75-46)33(62)27(76-45)16-72-44-29(50-21(5)58)34(63)31(60)25(14-56)74-44/h24,30-35,39-47,51-59,72-73,97-100,107-109H,10-23,25-29,75H2,1-9H3,(H,78,103)(H,79,83)(H,81,110)(H,82,113)(H,84,112)(H,85,114)(H,86,101)(H,87,102)(H,88,117)(H,89,115)(H,90,118)(H,91,104)(H,92,111)(H,93,116)(H,105,106)(H4,76,77,80);17-20,23-37,44-46,55-57,60-65H,7-16H2,1-6H3,(H2,47,66)(H,48,68)(H,49,69)(H,50,58)(H,51,59)(H,52,67)/t32?,33?,34?,35?,39?,40?,41?,42?,43?,44?,45?,46-,47-,51?,52?,53?,54?,55?,56+,57-,58?,59?,72-,73-;17?,18?,19?,20?,23?,24?,25?,26?,27?,28?,29?,30?,31-,32+,33+,34?,35+,36?,37-,44-,45+,46+/m01/s1
• InChIKey: GYPMYOYTLCODNY-XNAPOJIJSA-N
• XLogP: -23.26
• TPSA: 1240.82 Ų
• H-Bond Donors: 40
• H-Bond Acceptors: 54
• Rotatable Bonds: 66
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2891.05
LogP ≤ 5	-23.26
H-Bond Donors ≤ 5	40
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide (CID 158405280) is 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide is CC(=O)NC1C(O)[C@H](O)C(CO)O[C@H]1OCC1O[C@H](OC(C)C(NC(=O)C(C)CO)C(=O)NC(C)C(=O)N2CCCC2C(=O)N2CCCC2C(=O)NC(C)C(N)=O)C(NC(C)=O)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H]1O.CNC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O[C@H]1O[C@@H](CO)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@@H](O)C(O)C2NC(C)=O)C1NC(C)=O)C(C)O.

What is the InChIKey of 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is GYPMYOYTLCODNY-XNAPOJIJSA-N. The full InChI is InChI=1S/C74H120N22O29.C46H76N8O23/c1-31(2)51(91-49(104)26-81-60(110)39(75)22-38-24-79-30-83-38)66(116)93-53(35(6)122-73-55(87-37(8)102)59(57(108)47(29-99)124-73)125-72-54(86-36(7)101)58(109)56(107)46(28-98)123-72)68(118)90-42(27-97)62(112)84-32(3)69(119)95-20-12-17-45(95)65(115)89-41(23-50(105)106)61(111)92-52(34(5)100)67(117)88-40(14-10-18-80-74(76)77)71(121)96-21-13-16-44(96)64(114)85-33(4)70(120)94-19-11-15-43(94)63(113)82-25-48(103)78-9;1-17(13-55)39(67)52-28(41(69)49-19(3)42(70)54-12-8-10-24(54)43(71)53-11-7-9-23(53)40(68)48-18(2)38(47)66)20(4)73-45-30(51-22(6)59)37(77-46-36(65)35(64)32(61)26(15-57)75-46)33(62)27(76-45)16-72-44-29(50-21(5)58)34(63)31(60)25(14-56)74-44/h24,30-35,39-47,51-59,72-73,97-100,107-109H,10-23,25-29,75H2,1-9H3,(H,78,103)(H,79,83)(H,81,110)(H,82,113)(H,84,112)(H,85,114)(H,86,101)(H,87,102)(H,88,117)(H,89,115)(H,90,118)(H,91,104)(H,92,111)(H,93,116)(H,105,106)(H4,76,77,80);17-20,23-37,44-46,55-57,60-65H,7-16H2,1-6H3,(H2,47,66)(H,48,68)(H,49,69)(H,50,58)(H,51,59)(H,52,67)/t32?,33?,34?,35?,39?,40?,41?,42?,43?,44?,45?,46-,47-,51?,52?,53?,54?,55?,56+,57-,58?,59?,72-,73-;17?,18?,19?,20?,23?,24?,25?,26?,27?,28?,29?,30?,31-,32+,33+,34?,35+,36?,37-,44-,45+,46+/m01/s1.

What are the key properties of 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?

3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 2891.05 g/mol, XLogP of -23.26, 66 rotatable bonds, 40 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;1-[1-[2-[[3-[(2S,4R,5R)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(3-hydroxy-2-methylpropanoyl)amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 158405280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).