(2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid — IUPAC name, SMILES, InChIKey & properties

Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid

(2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid (PubChem CID 140540953) has the molecular formula C108H172N24O42 and a molecular weight of 2478.69 g/mol. Its IUPAC name is (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name	(2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid
PubChem CID	140540953
Molecular Formula	C108H172N24O42
Molecular Weight	2478.69 g/mol
Exact Mass	2477.21
IUPAC Name	(2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid
SMILES	[H]/N=C(/N)NCCCC(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(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CCC/C(C)=N/OCCCCCCNC(=O)C(CC)CC(C)C(N)=O)C(C)C)C(C)O)C(C)O[C@H]1OC(CO)[C@H](O)C(O[C@@H]2OC(CO)[C@H](O)C(O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@@](O)([C@H](O)CO)O3)C2O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C
InChI	InChI=1S/C108H172N24O42/c1-13-61(39-53(6)89(109)151)90(152)113-34-19-14-15-20-38-168-130-54(7)25-21-31-75(142)121-65(40-60-26-17-16-18-27-60)93(155)122-63(32-33-77(144)145)92(154)124-66(41-62-44-112-50-116-62)91(153)115-45-76(143)127-79(51(2)3)98(160)128-80(56(9)137)99(161)126-68(46-133)95(157)118-55(8)101(163)131-36-23-30-70(131)97(159)125-67(42-78(146)147)94(156)129-81(100(162)123-64(28-22-35-114-106(110)111)102(164)132-37-24-29-69(132)96(158)117-52(4)5)57(10)169-103-82(119-58(11)138)86(83(148)72(47-134)170-103)172-104-85(150)87(84(149)73(48-135)171-104)173-107(105(165)166)43-71(140)88(120-59(12)139)108(167,174-107)74(141)49-136/h16-18,26-27,44,50-53,55-57,61,63-74,79-88,103-104,133-137,140-141,148-150,167H,13-15,19-25,28-43,45-49H2,1-12H3,(H2,109,151)(H,112,116)(H,113,152)(H,115,153)(H,117,158)(H,118,157)(H,119,138)(H,120,139)(H,121,142)(H,122,155)(H,123,162)(H,124,154)(H,125,159)(H,126,161)(H,127,143)(H,128,160)(H,129,156)(H,144,145)(H,146,147)(H,165,166)(H4,110,111,114)/b130-54+/t53?,55?,56?,57?,61?,63?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74-,79?,80?,81?,82?,83+,84+,85?,86?,87?,88-,103+,104+,107-,108-/m1/s1
InChIKey	LXDLEINWPPQKOP-DKSQNXBLSA-N
XLogP	-11.60
TPSA	1022.19 Å²
H-Bond Donors	34
H-Bond Acceptors	42
Rotatable Bonds	72
Heavy Atoms	174
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2478.69
LogP ≤ 5	-11.60
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	42

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid (CID 140540953) is (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid is [H]/N=C(/N)NCCCC(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(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CCC/C(C)=N/OCCCCCCNC(=O)C(CC)CC(C)C(N)=O)C(C)C)C(C)O)C(C)O[C@H]1OC(CO)[C@H](O)C(O[C@@H]2OC(CO)[C@H](O)C(O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@@](O)([C@H](O)CO)O3)C2O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C.

What is the InChIKey of (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid?

The InChIKey is LXDLEINWPPQKOP-DKSQNXBLSA-N. The full InChI is InChI=1S/C108H172N24O42/c1-13-61(39-53(6)89(109)151)90(152)113-34-19-14-15-20-38-168-130-54(7)25-21-31-75(142)121-65(40-60-26-17-16-18-27-60)93(155)122-63(32-33-77(144)145)92(154)124-66(41-62-44-112-50-116-62)91(153)115-45-76(143)127-79(51(2)3)98(160)128-80(56(9)137)99(161)126-68(46-133)95(157)118-55(8)101(163)131-36-23-30-70(131)97(159)125-67(42-78(146)147)94(156)129-81(100(162)123-64(28-22-35-114-106(110)111)102(164)132-37-24-29-69(132)96(158)117-52(4)5)57(10)169-103-82(119-58(11)138)86(83(148)72(47-134)170-103)172-104-85(150)87(84(149)73(48-135)171-104)173-107(105(165)166)43-71(140)88(120-59(12)139)108(167,174-107)74(141)49-136/h16-18,26-27,44,50-53,55-57,61,63-74,79-88,103-104,133-137,140-141,148-150,167H,13-15,19-25,28-43,45-49H2,1-12H3,(H2,109,151)(H,112,116)(H,113,152)(H,115,153)(H,117,158)(H,118,157)(H,119,138)(H,120,139)(H,121,142)(H,122,155)(H,123,162)(H,124,154)(H,125,159)(H,126,161)(H,127,143)(H,128,160)(H,129,156)(H,144,145)(H,146,147)(H,165,166)(H4,110,111,114)/b130-54+/t53?,55?,56?,57?,61?,63?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74-,79?,80?,81?,82?,83+,84+,85?,86?,87?,88-,103+,104+,107-,108-/m1/s1.

What are the key properties of (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid?

Where does this data come from?

All data for (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 140540953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).