(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid

C93H148N32O44 — CID 155525347

IUPAC(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILES[H]/N=C(\N)N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](OC(=O)NCCOCCOCCOCc2cn(CC(Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)(Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)nn2)[C@H](O)CO)[C@@H]1NC(C)=O
InChIInChI=1S/C93H148N32O44/c1-49(130)106-69-57(110-85(94)95)29-65(81(138)139)162-77(69)73(61(134)37-126)166-89(146)102-5-9-150-13-17-154-21-25-158-41-53-33-122(118-114-53)45-93(46-123-34-54(115-119-123)42-159-26-22-155-18-14-151-10-6-103-90(147)167-74(62(135)38-127)78-70(107-50(2)131)58(111-86(96)97)30-66(163-78)82(140)141,47-124-35-55(116-120-124)43-160-27-23-156-19-15-152-11-7-104-91(148)168-75(63(136)39-128)79-71(108-51(3)132)59(112-87(98)99)31-67(164-79)83(142)143)48-125-36-56(117-121-125)44-161-28-24-157-20-16-153-12-8-105-92(149)169-76(64(137)40-129)80-72(109-52(4)133)60(113-88(100)101)32-68(165-80)84(144)145/h29-36,57-64,69-80,126-129,134-137H,5-28,37-48H2,1-4H3,(H,102,146)(H,103,147)(H,104,148)(H,105,149)(H,106,130)(H,107,131)(H,108,132)(H,109,133)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H4,94,95,110)(H4,96,97,111)(H4,98,99,112)(H4,100,101,113)/t57-,58-,59-,60-,61+,62+,63+,64+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m0/s1
InChIKeyHKWNJSZEONLFSN-LMMASZARSA-N
MW2418.39 g/mol
LogP-13.97
Rot. Bonds80

About (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid

(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 155525347) has the molecular formula C93H148N32O44 and a molecular weight of 2418.39 g/mol. Its IUPAC name is (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID155525347
Molecular FormulaC93H148N32O44
Molecular Weight2418.39 g/mol
Exact Mass2417.03
IUPAC Name(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILES[H]/N=C(\N)N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](OC(=O)NCCOCCOCCOCc2cn(CC(Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)(Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)nn2)[C@H](O)CO)[C@@H]1NC(C)=O
InChIInChI=1S/C93H148N32O44/c1-49(130)106-69-57(110-85(94)95)29-65(81(138)139)162-77(69)73(61(134)37-126)166-89(146)102-5-9-150-13-17-154-21-25-158-41-53-33-122(118-114-53)45-93(46-123-34-54(115-119-123)42-159-26-22-155-18-14-151-10-6-103-90(147)167-74(62(135)38-127)78-70(107-50(2)131)58(111-86(96)97)30-66(163-78)82(140)141,47-124-35-55(116-120-124)43-160-27-23-156-19-15-152-11-7-104-91(148)168-75(63(136)39-128)79-71(108-51(3)132)59(112-87(98)99)31-67(164-79)83(142)143)48-125-36-56(117-121-125)44-161-28-24-157-20-16-153-12-8-105-92(149)169-76(64(137)40-129)80-72(109-52(4)133)60(113-88(100)101)32-68(165-80)84(144)145/h29-36,57-64,69-80,126-129,134-137H,5-28,37-48H2,1-4H3,(H,102,146)(H,103,147)(H,104,148)(H,105,149)(H,106,130)(H,107,131)(H,108,132)(H,109,133)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H4,94,95,110)(H4,96,97,111)(H4,98,99,112)(H4,100,101,113)/t57-,58-,59-,60-,61+,62+,63+,64+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m0/s1
InChIKeyHKWNJSZEONLFSN-LMMASZARSA-N
XLogP-13.97
TPSA1098.88 Ų
H-Bond Donors32
H-Bond Acceptors56
Rotatable Bonds80
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002418.39
LogP ≤ 5-13.97
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 155525347) is (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid is [H]/N=C(\N)N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](OC(=O)NCCOCCOCCOCc2cn(CC(Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)(Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)Cn3cc(COCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]4NC(C)=O)[C@H](O)CO)nn3)nn2)[C@H](O)CO)[C@@H]1NC(C)=O.
What is the InChIKey of (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is HKWNJSZEONLFSN-LMMASZARSA-N. The full InChI is InChI=1S/C93H148N32O44/c1-49(130)106-69-57(110-85(94)95)29-65(81(138)139)162-77(69)73(61(134)37-126)166-89(146)102-5-9-150-13-17-154-21-25-158-41-53-33-122(118-114-53)45-93(46-123-34-54(115-119-123)42-159-26-22-155-18-14-151-10-6-103-90(147)167-74(62(135)38-127)78-70(107-50(2)131)58(111-86(96)97)30-66(163-78)82(140)141,47-124-35-55(116-120-124)43-160-27-23-156-19-15-152-11-7-104-91(148)168-75(63(136)39-128)79-71(108-51(3)132)59(112-87(98)99)31-67(164-79)83(142)143)48-125-36-56(117-121-125)44-161-28-24-157-20-16-153-12-8-105-92(149)169-76(64(137)40-129)80-72(109-52(4)133)60(113-88(100)101)32-68(165-80)84(144)145/h29-36,57-64,69-80,126-129,134-137H,5-28,37-48H2,1-4H3,(H,102,146)(H,103,147)(H,104,148)(H,105,149)(H,106,130)(H,107,131)(H,108,132)(H,109,133)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H4,94,95,110)(H4,96,97,111)(H4,98,99,112)(H4,100,101,113)/t57-,58-,59-,60-,61+,62+,63+,64+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m0/s1.
What are the key properties of (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid?
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 2418.39 g/mol, XLogP of -13.97, 80 rotatable bonds, 32 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[2-[2-[[1-[3-[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2,2-bis[[4-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]propyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 155525347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).