(2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid

C87H146N26O35 — CID 91443450

IUPAC(2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILES[H]/N=C(\N)NC1=C(NC(C)=O)[C@H]([C@H](OC(=O)NCCCCCCNC(=O)CN(CCN(CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)C(O)CO)OC(C(C)=O)C1
InChIInChI=1S/C87H146N26O35/c1-44(118)57-32-49(108-80(88)89)65(104-45(2)119)73(141-57)69(53(123)40-114)145-84(137)100-26-18-10-6-14-22-96-61(127)36-112(37-62(128)97-23-15-7-11-19-27-101-85(138)146-70(54(124)41-115)74-66(105-46(3)120)50(109-81(90)91)33-58(142-74)77(131)132)30-31-113(38-63(129)98-24-16-8-12-20-28-102-86(139)147-71(55(125)42-116)75-67(106-47(4)121)51(110-82(92)93)34-59(143-75)78(133)134)39-64(130)99-25-17-9-13-21-29-103-87(140)148-72(56(126)43-117)76-68(107-48(5)122)52(111-83(94)95)35-60(144-76)79(135)136/h33-35,50-57,66-76,114-117,123-126H,6-32,36-43H2,1-5H3,(H,96,127)(H,97,128)(H,98,129)(H,99,130)(H,100,137)(H,101,138)(H,102,139)(H,103,140)(H,104,119)(H,105,120)(H,106,121)(H,107,122)(H,131,132)(H,133,134)(H,135,136)(H4,88,89,108)(H4,90,91,109)(H4,92,93,110)(H4,94,95,111)/t50-,51-,52-,53?,54?,55?,56?,57?,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+/m0/s1
InChIKeyRLUIWUMZIIKVOX-RMSBECCSSA-N
MW2116.27 g/mol
LogP-10.16
Rot. Bonds67

About (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid

(2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 91443450) has the molecular formula C87H146N26O35 and a molecular weight of 2116.27 g/mol. Its IUPAC name is (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID91443450
Molecular FormulaC87H146N26O35
Molecular Weight2116.27 g/mol
Exact Mass2115.04
IUPAC Name(2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILES[H]/N=C(\N)NC1=C(NC(C)=O)[C@H]([C@H](OC(=O)NCCCCCCNC(=O)CN(CCN(CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)C(O)CO)OC(C(C)=O)C1
InChIInChI=1S/C87H146N26O35/c1-44(118)57-32-49(108-80(88)89)65(104-45(2)119)73(141-57)69(53(123)40-114)145-84(137)100-26-18-10-6-14-22-96-61(127)36-112(37-62(128)97-23-15-7-11-19-27-101-85(138)146-70(54(124)41-115)74-66(105-46(3)120)50(109-81(90)91)33-58(142-74)77(131)132)30-31-113(38-63(129)98-24-16-8-12-20-28-102-86(139)147-71(55(125)42-116)75-67(106-47(4)121)51(110-82(92)93)34-59(143-75)78(133)134)39-64(130)99-25-17-9-13-21-29-103-87(140)148-72(56(126)43-117)76-68(107-48(5)122)52(111-83(94)95)35-60(144-76)79(135)136/h33-35,50-57,66-76,114-117,123-126H,6-32,36-43H2,1-5H3,(H,96,127)(H,97,128)(H,98,129)(H,99,130)(H,100,137)(H,101,138)(H,102,139)(H,103,140)(H,104,119)(H,105,120)(H,106,121)(H,107,122)(H,131,132)(H,133,134)(H,135,136)(H4,88,89,108)(H4,90,91,109)(H4,92,93,110)(H4,94,95,111)/t50-,51-,52-,53?,54?,55?,56?,57?,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+/m0/s1
InChIKeyRLUIWUMZIIKVOX-RMSBECCSSA-N
XLogP-10.16
TPSA967.93 Ų
H-Bond Donors35
H-Bond Acceptors38
Rotatable Bonds67
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.27
LogP ≤ 5-10.16
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1038

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)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 91443450) is (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-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)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid is [H]/N=C(\N)NC1=C(NC(C)=O)[C@H]([C@H](OC(=O)NCCCCCCNC(=O)CN(CCN(CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)CC(=O)NCCCCCCNC(=O)O[C@H](C(O)CO)[C@@H]2OC(C(=O)O)=C[C@H](N/C(N)=N/[H])[C@H]2NC(C)=O)C(O)CO)OC(C(C)=O)C1.
What is the InChIKey of (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is RLUIWUMZIIKVOX-RMSBECCSSA-N. The full InChI is InChI=1S/C87H146N26O35/c1-44(118)57-32-49(108-80(88)89)65(104-45(2)119)73(141-57)69(53(123)40-114)145-84(137)100-26-18-10-6-14-22-96-61(127)36-112(37-62(128)97-23-15-7-11-19-27-101-85(138)146-70(54(124)41-115)74-66(105-46(3)120)50(109-81(90)91)33-58(142-74)77(131)132)30-31-113(38-63(129)98-24-16-8-12-20-28-102-86(139)147-71(55(125)42-116)75-67(106-47(4)121)51(110-82(92)93)34-59(143-75)78(133)134)39-64(130)99-25-17-9-13-21-29-103-87(140)148-72(56(126)43-117)76-68(107-48(5)122)52(111-83(94)95)35-60(144-76)79(135)136/h33-35,50-57,66-76,114-117,123-126H,6-32,36-43H2,1-5H3,(H,96,127)(H,97,128)(H,98,129)(H,99,130)(H,100,137)(H,101,138)(H,102,139)(H,103,140)(H,104,119)(H,105,120)(H,106,121)(H,107,122)(H,131,132)(H,133,134)(H,135,136)(H4,88,89,108)(H4,90,91,109)(H4,92,93,110)(H4,94,95,111)/t50-,51-,52-,53?,54?,55?,56?,57?,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+/m0/s1.
What are the key properties of (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid?
(2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 2116.27 g/mol, XLogP of -10.16, 67 rotatable bonds, 35 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-acetamido-2-[(1R)-1-[6-[[2-[2-[[2-[6-[[(1R)-1-[(6R)-5-acetamido-2-acetyl-4-carbamimidamido-3,6-dihydro-2H-pyran-6-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[[(1R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 91443450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).