4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid

C101H165N25O48 — CID 91084598

About 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid

4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid (PubChem CID 91084598) has the molecular formula C101H165N25O48 and a molecular weight of 2497.56 g/mol. Its IUPAC name is 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid
• PubChem CID: 91084598
• Molecular Formula: C101H165N25O48
• Molecular Weight: 2497.56 g/mol
• Exact Mass: 2496.12
• IUPAC Name: 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid
• SMILES: CNC(=O)C(NC(=O)C(CO)NC(=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]1OC(CO)[C@H](O)C(O[C@@H]2OC(CO)[C@H](O)C(O)C2O)C1NC(C)=O)C(C)O)C(C)O[C@H]1OC(CO[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2NC(C)=O)[C@H](O)C(O[C@@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)[C@@H]1NC(C)=O
• InChI: InChI=1S/C101H165N25O48/c1-37(2)63(120-61(138)28-108-82(151)47(102)24-46-26-106-36-110-46)90(159)123-66(42(7)167-97-68(114-44(9)135)80(73(144)58(34-132)169-97)173-99-78(149)76(147)71(142)56(32-130)170-99)92(161)119-51(30-128)84(153)111-38(3)93(162)125-22-14-19-54(125)88(157)118-49(25-62(139)140)83(152)121-64(40(5)133)91(160)117-48(16-12-20-107-101(103)104)95(164)126-23-15-18-53(126)87(156)112-39(4)94(163)124-21-13-17-52(124)86(155)109-27-60(137)116-50(29-127)85(154)122-65(89(158)105-11)41(6)166-98-69(115-45(10)136)81(174-100-79(150)77(148)72(143)57(33-131)171-100)74(145)59(172-98)35-165-96-67(113-43(8)134)75(146)70(141)55(31-129)168-96/h26,36-42,47-59,63-81,96-100,127-133,141-150H,12-25,27-35,102H2,1-11H3,(H,105,158)(H,106,110)(H,108,151)(H,109,155)(H,111,153)(H,112,156)(H,113,134)(H,114,135)(H,115,136)(H,116,137)(H,117,160)(H,118,157)(H,119,161)(H,120,138)(H,121,152)(H,122,154)(H,123,159)(H,139,140)(H4,103,104,107)/t38?,39?,40?,41?,42?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,63?,64?,65?,66?,67-,68?,69-,70+,71-,72-,73-,74-,75?,76?,77?,78?,79-,80?,81?,96+,97-,98-,99-,100-/m0/s1
• InChIKey: OOCYTCWBVYYWFU-KBFGHHEMSA-N
• XLogP: -23.02
• TPSA: 1119.14 Ų
• H-Bond Donors: 38
• H-Bond Acceptors: 50
• Rotatable Bonds: 60
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2497.56
LogP ≤ 5	-23.02
H-Bond Donors ≤ 5	38
H-Bond Acceptors ≤ 10	50

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 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid?

The IUPAC name of 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid (CID 91084598) is 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid.

What is the SMILES notation for 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid?

The canonical SMILES for 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid is CNC(=O)C(NC(=O)C(CO)NC(=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]1OC(CO)[C@H](O)C(O[C@@H]2OC(CO)[C@H](O)C(O)C2O)C1NC(C)=O)C(C)O)C(C)O[C@H]1OC(CO[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2NC(C)=O)[C@H](O)C(O[C@@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)[C@@H]1NC(C)=O.

What is the InChIKey of 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid?

The InChIKey is OOCYTCWBVYYWFU-KBFGHHEMSA-N. The full InChI is InChI=1S/C101H165N25O48/c1-37(2)63(120-61(138)28-108-82(151)47(102)24-46-26-106-36-110-46)90(159)123-66(42(7)167-97-68(114-44(9)135)80(73(144)58(34-132)169-97)173-99-78(149)76(147)71(142)56(32-130)170-99)92(161)119-51(30-128)84(153)111-38(3)93(162)125-22-14-19-54(125)88(157)118-49(25-62(139)140)83(152)121-64(40(5)133)91(160)117-48(16-12-20-107-101(103)104)95(164)126-23-15-18-53(126)87(156)112-39(4)94(163)124-21-13-17-52(124)86(155)109-27-60(137)116-50(29-127)85(154)122-65(89(158)105-11)41(6)166-98-69(115-45(10)136)81(174-100-79(150)77(148)72(143)57(33-131)171-100)74(145)59(172-98)35-165-96-67(113-43(8)134)75(146)70(141)55(31-129)168-96/h26,36-42,47-59,63-81,96-100,127-133,141-150H,12-25,27-35,102H2,1-11H3,(H,105,158)(H,106,110)(H,108,151)(H,109,155)(H,111,153)(H,112,156)(H,113,134)(H,114,135)(H,115,136)(H,116,137)(H,117,160)(H,118,157)(H,119,161)(H,120,138)(H,121,152)(H,122,154)(H,123,159)(H,139,140)(H4,103,104,107)/t38?,39?,40?,41?,42?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,63?,64?,65?,66?,67-,68?,69-,70+,71-,72-,73-,74-,75?,76?,77?,78?,79-,80?,81?,96+,97-,98-,99-,100-/m0/s1.

What are the key properties of 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid?

4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid has a molecular weight of 2497.56 g/mol, XLogP of -23.02, 60 rotatable bonds, 38 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[[1-[2-[[1-[2-[[2-[[1-[[3-[(2S,3S,5R)-3-acetamido-6-[[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[1-[2-[[2-[[3-[(2S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-oxobutanoic acid is sourced from PubChem (CID 91084598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).