(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid

C92H146IN17O27S — CID 155657149

IUPAC(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid
SMILESCN1CCN(CC(=O)O)CCN(CC(=O)O)CC(Cc2ccc(NC(=S)NCCCC[C@H](NC(=O)CCOCCOCCOCCn3cc(-c4cccc(NC(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)c4)nn3)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCc3ccc(I)cc3)C(=O)O)cc2)N(C)CC1
InChIInChI=1S/C92H146IN17O27S/c1-106-35-37-107(2)76(66-109(69-86(118)119)40-39-108(38-36-106)68-85(116)117)64-71-22-26-74(27-23-71)100-92(138)98-32-8-3-15-77(101-82(112)28-42-127-46-50-131-53-49-130-45-41-110-67-80(104-105-110)72-13-10-14-75(65-72)99-90(125)96-31-7-5-17-79(89(123)124)103-91(126)97-33-11-19-84(114)115)87(120)95-34-44-129-48-52-133-55-57-135-59-61-137-63-62-136-60-58-134-56-54-132-51-47-128-43-29-83(113)102-78(88(121)122)16-4-6-30-94-81(111)18-9-12-70-20-24-73(93)25-21-70/h10,13-14,20-27,65,67,76-79H,3-9,11-12,15-19,28-64,66,68-69H2,1-2H3,(H,94,111)(H,95,120)(H,101,112)(H,102,113)(H,114,115)(H,116,117)(H,118,119)(H,121,122)(H,123,124)(H2,96,99,125)(H2,97,103,126)(H2,98,100,138)/t76?,77-,78-,79-/m0/s1
InChIKeyXKDNKDFZYBBGBX-JWPBBBKTSA-N
MW2081.24 g/mol
LogP3.62
Rot. Bonds77

About (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid

(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid (PubChem CID 155657149) has the molecular formula C92H146IN17O27S and a molecular weight of 2081.24 g/mol. Its IUPAC name is (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid
PubChem CID155657149
Molecular FormulaC92H146IN17O27S
Molecular Weight2081.24 g/mol
Exact Mass2079.93
IUPAC Name(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid
SMILESCN1CCN(CC(=O)O)CCN(CC(=O)O)CC(Cc2ccc(NC(=S)NCCCC[C@H](NC(=O)CCOCCOCCOCCn3cc(-c4cccc(NC(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)c4)nn3)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCc3ccc(I)cc3)C(=O)O)cc2)N(C)CC1
InChIInChI=1S/C92H146IN17O27S/c1-106-35-37-107(2)76(66-109(69-86(118)119)40-39-108(38-36-106)68-85(116)117)64-71-22-26-74(27-23-71)100-92(138)98-32-8-3-15-77(101-82(112)28-42-127-46-50-131-53-49-130-45-41-110-67-80(104-105-110)72-13-10-14-75(65-72)99-90(125)96-31-7-5-17-79(89(123)124)103-91(126)97-33-11-19-84(114)115)87(120)95-34-44-129-48-52-133-55-57-135-59-61-137-63-62-136-60-58-134-56-54-132-51-47-128-43-29-83(113)102-78(88(121)122)16-4-6-30-94-81(111)18-9-12-70-20-24-73(93)25-21-70/h10,13-14,20-27,65,67,76-79H,3-9,11-12,15-19,28-64,66,68-69H2,1-2H3,(H,94,111)(H,95,120)(H,101,112)(H,102,113)(H,114,115)(H,116,117)(H,118,119)(H,121,122)(H,123,124)(H2,96,99,125)(H2,97,103,126)(H2,98,100,138)/t76?,77-,78-,79-/m0/s1
InChIKeyXKDNKDFZYBBGBX-JWPBBBKTSA-N
XLogP3.62
TPSA554.42 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds77
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.24
LogP ≤ 53.62
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid with MolForge

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

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Related Compounds

(2S)-2-[[1-carboxy-5-[[3-[1-[2-[2-[2-[3-[[1-[[1-carboxy-5-[4-(4-iodophenyl)butanoylamino]pentyl]amino]-1-oxo-6-[[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]hexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioic acid
CID 137418208
2-[[1-carboxy-5-[[3-[1-[2-[2-[2-[3-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-carboxy-5-[4-(4-iodophenyl)butanoylamino]pentyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxo-6-[[4-[[1,4,7,10-tetrakis(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]hexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioic acid
CID 146608547
(2S)-2-[[(1S)-1-carboxy-5-[[3-[1-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(2S)-1-[[(1S)-1-carboxy-5-[[2-(4-iodophenyl)acetyl]amino]pentyl]amino]-1-oxo-6-[[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]hexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioic acid
CID 135353406
(2S)-2-[3-[2-[2-[[(2R)-6-[2-[2-[5-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]-4-oxo-2-[4-[[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]butyl]hexanoyl]amino]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid
CID 160986246
2-[[1-carboxy-5-[[3-[1-[2-[2-[2-[3-[[1-[[1-carboxy-5-[[2-(4-iodophenyl)acetyl]amino]pentyl]amino]-6-(methanethioylamino)-1-oxohexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioic acid
CID 167109221
(2S)-2-[[(1S)-1-carboxy-5-[[3-[3-[3-[3-[3-[[(2S)-1-[[(1S)-1-carboxy-5-[[2-(4-iodophenyl)acetyl]amino]pentyl]amino]-1-oxo-6-[[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]hexan-2-yl]amino]-3-oxopropoxy]propoxy]propyl]triazol-4-yl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioic acid
CID 164711264
(2S)-2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[[2-[4-[[2-[(2R)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-7-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]-6-[[2-(4-iodophenyl)acetyl]amino]hexanoic acid;bis(carbon dioxide)
CID 163565239
2-[[5-[[3-[(Z)-2-amino-1-[[2-[[1-[[1-carboxy-5-[[2-(4-iodophenyl)acetyl]amino]pentyl]amino]-1-oxo-6-[[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]hexan-2-yl]amino]-2-oxoethyl]amino]ethenyl]phenyl]carbamoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 137418090
2-[5-[[12-[[1-carboxy-10-(4-iodophenyl)-7-oxodecyl]amino]-11-[3-[2-[2-[2-[2-[[4-[3-[6-[4-(carboxymethyl)-7,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]-5-oxohexyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8,12-dioxododecanoyl]amino]pentylcarbamoylamino]pentanedioic acid
CID 160621106
(2S)-2-[[(1S)-1-carboxy-5-[[8-[[1-carboxy-5-[[3-phenyl-2-[[3-phenyl-2-[[3-phenyl-2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 89029155
2-[[1-carboxy-5-[[8-[[1-carboxy-5-[[3-phenyl-2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]propanoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 91020384
(2S)-2-[[(1S)-1-carboxy-5-[8-[[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]octanoylamino]pentyl]carbamoylamino]pentanedioic acid;lutetium(3+)
CID 71494107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid?
The IUPAC name of (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid (CID 155657149) is (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid is CN1CCN(CC(=O)O)CCN(CC(=O)O)CC(Cc2ccc(NC(=S)NCCCC[C@H](NC(=O)CCOCCOCCOCCn3cc(-c4cccc(NC(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)c4)nn3)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCc3ccc(I)cc3)C(=O)O)cc2)N(C)CC1.
What is the InChIKey of (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid?
The InChIKey is XKDNKDFZYBBGBX-JWPBBBKTSA-N. The full InChI is InChI=1S/C92H146IN17O27S/c1-106-35-37-107(2)76(66-109(69-86(118)119)40-39-108(38-36-106)68-85(116)117)64-71-22-26-74(27-23-71)100-92(138)98-32-8-3-15-77(101-82(112)28-42-127-46-50-131-53-49-130-45-41-110-67-80(104-105-110)72-13-10-14-75(65-72)99-90(125)96-31-7-5-17-79(89(123)124)103-91(126)97-33-11-19-84(114)115)87(120)95-34-44-129-48-52-133-55-57-135-59-61-137-63-62-136-60-58-134-56-54-132-51-47-128-43-29-83(113)102-78(88(121)122)16-4-6-30-94-81(111)18-9-12-70-20-24-73(93)25-21-70/h10,13-14,20-27,65,67,76-79H,3-9,11-12,15-19,28-64,66,68-69H2,1-2H3,(H,94,111)(H,95,120)(H,101,112)(H,102,113)(H,114,115)(H,116,117)(H,118,119)(H,121,122)(H,123,124)(H2,96,99,125)(H2,97,103,126)(H2,98,100,138)/t76?,77-,78-,79-/m0/s1.
What are the key properties of (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid?
(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid has a molecular weight of 2081.24 g/mol, XLogP of 3.62, 77 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-6-[[4-[[4,7-bis(carboxymethyl)-1,10-dimethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-[3-[2-[2-[2-[4-[3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid is sourced from PubChem (CID 155657149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).