octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane

C122H186AtI3N30O40 — CID 176525304

IUPACoctakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane
SMILESC.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([125I])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([131I])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([211At])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cncc([131I])c1)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C29H47AtN8O6.2C29H47IN8O6.C26H41IN6O6.8CO2.CH4/c3*1-2-9-23(27(42)43)38-29(44)36-15-8-4-6-13-34-25(40)11-10-24(39)33-12-5-3-7-14-35-26(41)21-16-20(17-22(30)18-21)19-37-28(31)32;1-2-9-21(25(37)38)33-26(39)32-15-8-4-6-13-30-23(35)11-10-22(34)29-12-5-3-7-14-31-24(36)19-16-20(27)18-28-17-19;8*2-1-3;/h3*16-18,23H,2-15,19H2,1H3,(H,33,39)(H,34,40)(H,35,41)(H,42,43)(H4,31,32,37)(H2,36,38,44);16-18,21H,2-15H2,1H3,(H,29,34)(H,30,35)(H,31,36)(H,37,38)(H2,32,33,39);;;;;;;;;1H4/t3*23-;21-;;;;;;;;;/m0000........./s1/i30+1;30+4;30-2;27+4;;;;;;;;;
InChIKeyQFAOVSQOVREWDC-PBJRKNIWSA-N
MW3310.70 g/mol
LogP1.96
Rot. Bonds86

About octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane

octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane (PubChem CID 176525304) has the molecular formula C122H186AtI3N30O40 and a molecular weight of 3310.70 g/mol. Its IUPAC name is octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane.

Molecular Properties

Compound Nameoctakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane
PubChem CID176525304
Molecular FormulaC122H186AtI3N30O40
Molecular Weight3310.70 g/mol
Exact Mass3309.05
IUPAC Nameoctakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane
SMILESC.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([125I])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([131I])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([211At])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cncc([131I])c1)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C29H47AtN8O6.2C29H47IN8O6.C26H41IN6O6.8CO2.CH4/c3*1-2-9-23(27(42)43)38-29(44)36-15-8-4-6-13-34-25(40)11-10-24(39)33-12-5-3-7-14-35-26(41)21-16-20(17-22(30)18-21)19-37-28(31)32;1-2-9-21(25(37)38)33-26(39)32-15-8-4-6-13-30-23(35)11-10-22(34)29-12-5-3-7-14-31-24(36)19-16-20(27)18-28-17-19;8*2-1-3;/h3*16-18,23H,2-15,19H2,1H3,(H,33,39)(H,34,40)(H,35,41)(H,42,43)(H4,31,32,37)(H2,36,38,44);16-18,21H,2-15H2,1H3,(H,29,34)(H,30,35)(H,31,36)(H,37,38)(H2,32,33,39);;;;;;;;;1H4/t3*23-;21-;;;;;;;;;/m0000........./s1/i30+1;30+4;30-2;27+4;;;;;;;;;
InChIKeyQFAOVSQOVREWDC-PBJRKNIWSA-N
XLogP1.96
TPSA1142.13 Ų
H-Bond Donors30
H-Bond Acceptors40
Rotatable Bonds86
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003310.70
LogP ≤ 51.96
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1040

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': 'iodine', 'substructure': 'N/A'}

Analyze octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane with MolForge

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Related Compounds

tetrakis(carbon dioxide);2-[[4-[5-[[(2R)-4-carboxybutan-2-yl]carbamoyloxy]pentylamino]-4-oxobutanoyl]amino]-6-[(4-(131I)iodobenzoyl)amino]hexanoic acid;2-[[4-[5-[[(2R)-4-carboxybutan-2-yl]carbamoyloxy]pentylamino]-4-oxobutanoyl]amino]-6-[(5-(125I)iodopyridine-3-carbonyl)amino]hexanoic acid;[5-[[5-carboxy-5-[[4-[5-[[(2R)-4-carboxybutan-2-yl]carbamoyloxy]pentylamino]-4-oxobutanoyl]amino]pentyl]carbamoyl]-3-pyridinyl](211At)astatine-211;(2S)-2-[5-[[4-[[1-carboxy-5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentyl]amino]-4-oxobutanoyl]amino]pentoxycarbonylamino]pentanedioic acid
CID 158510467
(2R)-2-[5-[[4-oxo-4-[5-[(5-tributylstannylpyridine-3-carbonyl)amino]pentylamino]butanoyl]amino]pentylcarbamoylamino]pentanedioic acid
CID 154599866
[5-[[5-carboxy-5-[[8-[5-[[(1S)-1-carboxybutyl]carbamoyloxy]pentylamino]-8-oxooctanoyl]amino]pentyl]carbamoyl]-3-pyridinyl](211At)astatine-211
CID 158711298
(2S)-2-[[1-carboxy-5-[[8-[[1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 145300751
(2S)-2-[5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentylcarbamoylamino]pentanedioic acid
CID 154599883
(2S)-2-[[(1S)-1-carboxy-5-[[8-[[1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-methylbenzoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;(2S)-2-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-methylbenzoyl]amino]pentyl]carbamoylamino]pentanedioic acid;molecular hydrogen
CID 163863832
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
CID 90941953
6-[12-[(3,5-diboronobenzoyl)amino]dodecanoylamino]-2-(methylamino)hexanoic acid
CID 123701634
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361

Frequently Asked Questions

What is the IUPAC name of octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane?
The IUPAC name of octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane (CID 176525304) is octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane.
What is the SMILES notation for octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane?
The canonical SMILES for octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane is C.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([125I])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([131I])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cc([211At])cc(CN=C(N)N)c1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)c1cncc([131I])c1)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane?
The InChIKey is QFAOVSQOVREWDC-PBJRKNIWSA-N. The full InChI is InChI=1S/C29H47AtN8O6.2C29H47IN8O6.C26H41IN6O6.8CO2.CH4/c3*1-2-9-23(27(42)43)38-29(44)36-15-8-4-6-13-34-25(40)11-10-24(39)33-12-5-3-7-14-35-26(41)21-16-20(17-22(30)18-21)19-37-28(31)32;1-2-9-21(25(37)38)33-26(39)32-15-8-4-6-13-30-23(35)11-10-22(34)29-12-5-3-7-14-31-24(36)19-16-20(27)18-28-17-19;8*2-1-3;/h3*16-18,23H,2-15,19H2,1H3,(H,33,39)(H,34,40)(H,35,41)(H,42,43)(H4,31,32,37)(H2,36,38,44);16-18,21H,2-15H2,1H3,(H,29,34)(H,30,35)(H,31,36)(H,37,38)(H2,32,33,39);;;;;;;;;1H4/t3*23-;21-;;;;;;;;;/m0000........./s1/i30+1;30+4;30-2;27+4;;;;;;;;;.
What are the key properties of octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane?
octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane has a molecular weight of 3310.70 g/mol, XLogP of 1.96, 86 rotatable bonds, 30 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(carbon dioxide);[3-[5-[[4-[5-[[(1S)-1-carboxybutyl]carbamoylamino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoyl]-5-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(125I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[[3-[(diaminomethylideneamino)methyl]-5-(131I)iodobenzoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[[4-[5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylcarbamoylamino]pentanoic acid;methane is sourced from PubChem (CID 176525304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).