methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate

C109H196N24O49 — CID 159020749

IUPACmethyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate
SMILESCOC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCN
InChIInChI=1S/C109H196N24O49/c1-182-109(181)85(157)84(156)108(180)133-61-37-13-36-60-132-107(179)83(155)82(154)106(178)131-59-35-12-34-58-130-105(177)81(153)80(152)104(176)129-57-33-11-32-56-128-103(175)79(151)78(150)102(174)127-55-31-10-30-54-126-101(173)77(149)76(148)100(172)125-53-29-9-28-52-124-99(171)75(147)74(146)98(170)123-51-27-8-26-50-122-97(169)73(145)72(144)96(168)121-49-25-7-24-48-120-95(167)71(143)70(142)94(166)119-47-23-6-22-46-118-93(165)69(141)68(140)92(164)117-45-21-5-20-44-116-91(163)67(139)66(138)90(162)115-43-19-4-18-42-114-89(161)65(137)64(136)88(160)113-41-17-3-16-40-112-87(159)63(135)62(134)86(158)111-39-15-2-14-38-110/h62-85,134-157H,2-61,110H2,1H3,(H,111,158)(H,112,159)(H,113,160)(H,114,161)(H,115,162)(H,116,163)(H,117,164)(H,118,165)(H,119,166)(H,120,167)(H,121,168)(H,122,169)(H,123,170)(H,124,171)(H,125,172)(H,126,173)(H,127,174)(H,128,175)(H,129,176)(H,130,177)(H,131,178)(H,132,179)(H,133,180)/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1
InChIKeyJTQWOCWDWPBIMI-OZZQOHSESA-N
MW2626.89 g/mol
LogP-22.50
Rot. Bonds107

About methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate

methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate (PubChem CID 159020749) has the molecular formula C109H196N24O49 and a molecular weight of 2626.89 g/mol. Its IUPAC name is methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate
PubChem CID159020749
Molecular FormulaC109H196N24O49
Molecular Weight2626.89 g/mol
Exact Mass2625.36
IUPAC Namemethyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate
SMILESCOC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCN
InChIInChI=1S/C109H196N24O49/c1-182-109(181)85(157)84(156)108(180)133-61-37-13-36-60-132-107(179)83(155)82(154)106(178)131-59-35-12-34-58-130-105(177)81(153)80(152)104(176)129-57-33-11-32-56-128-103(175)79(151)78(150)102(174)127-55-31-10-30-54-126-101(173)77(149)76(148)100(172)125-53-29-9-28-52-124-99(171)75(147)74(146)98(170)123-51-27-8-26-50-122-97(169)73(145)72(144)96(168)121-49-25-7-24-48-120-95(167)71(143)70(142)94(166)119-47-23-6-22-46-118-93(165)69(141)68(140)92(164)117-45-21-5-20-44-116-91(163)67(139)66(138)90(162)115-43-19-4-18-42-114-89(161)65(137)64(136)88(160)113-41-17-3-16-40-112-87(159)63(135)62(134)86(158)111-39-15-2-14-38-110/h62-85,134-157H,2-61,110H2,1H3,(H,111,158)(H,112,159)(H,113,160)(H,114,161)(H,115,162)(H,116,163)(H,117,164)(H,118,165)(H,119,166)(H,120,167)(H,121,168)(H,122,169)(H,123,170)(H,124,171)(H,125,172)(H,126,173)(H,127,174)(H,128,175)(H,129,176)(H,130,177)(H,131,178)(H,132,179)(H,133,180)/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1
InChIKeyJTQWOCWDWPBIMI-OZZQOHSESA-N
XLogP-22.50
TPSA1207.14 Ų
H-Bond Donors48
H-Bond Acceptors50
Rotatable Bonds107
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002626.89
LogP ≤ 5-22.50
H-Bond Donors ≤ 548
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate with MolForge

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

Launch Full Analysis

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(2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide
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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate?
The IUPAC name of methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate (CID 159020749) is methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate.
What is the SMILES notation for methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate?
The canonical SMILES for methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate is COC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCN.
What is the InChIKey of methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate?
The InChIKey is JTQWOCWDWPBIMI-OZZQOHSESA-N. The full InChI is InChI=1S/C109H196N24O49/c1-182-109(181)85(157)84(156)108(180)133-61-37-13-36-60-132-107(179)83(155)82(154)106(178)131-59-35-12-34-58-130-105(177)81(153)80(152)104(176)129-57-33-11-32-56-128-103(175)79(151)78(150)102(174)127-55-31-10-30-54-126-101(173)77(149)76(148)100(172)125-53-29-9-28-52-124-99(171)75(147)74(146)98(170)123-51-27-8-26-50-122-97(169)73(145)72(144)96(168)121-49-25-7-24-48-120-95(167)71(143)70(142)94(166)119-47-23-6-22-46-118-93(165)69(141)68(140)92(164)117-45-21-5-20-44-116-91(163)67(139)66(138)90(162)115-43-19-4-18-42-114-89(161)65(137)64(136)88(160)113-41-17-3-16-40-112-87(159)63(135)62(134)86(158)111-39-15-2-14-38-110/h62-85,134-157H,2-61,110H2,1H3,(H,111,158)(H,112,159)(H,113,160)(H,114,161)(H,115,162)(H,116,163)(H,117,164)(H,118,165)(H,119,166)(H,120,167)(H,121,168)(H,122,169)(H,123,170)(H,124,171)(H,125,172)(H,126,173)(H,127,174)(H,128,175)(H,129,176)(H,130,177)(H,131,178)(H,132,179)(H,133,180)/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1.
What are the key properties of methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate?
methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate has a molecular weight of 2626.89 g/mol, XLogP of -22.50, 107 rotatable bonds, 48 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate is sourced from PubChem (CID 159020749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).