(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane

C162H287N27O52 — CID 160701360

IUPAC(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane
SMILESC.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CNO)C(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CNO)C(C)C)cc1.CC(C)[C@H](NC(=O)CNO)C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn2)cc1
InChIInChI=1S/C58H103N9O19.C53H93N9O18.C50H87N9O15.CH4/c1-47(2)55(64-54(69)44-62-72)53(68)42-50(8-7-14-60-57(59)71)56(70)63-51-11-9-49(10-12-51)46-86-48(3)61-43-52-45-67(66-65-52)15-17-74-19-21-76-23-25-78-27-29-80-31-33-82-35-37-84-39-41-85-40-38-83-36-34-81-32-30-79-28-26-77-24-22-75-20-18-73-16-13-58(4,5)6;1-42(2)49(59-48(64)39-57-68)47(63)37-44(7-6-13-55-51(54)66)50(65)58-45-10-8-43(9-11-45)41-80-52(67)56-38-46-40-62(61-60-46)14-16-70-18-20-72-22-24-74-26-28-76-30-32-78-34-36-79-35-33-77-31-29-75-27-25-73-23-21-71-19-17-69-15-12-53(3,4)5;1-39(2)47(56-46(61)36-54-64)45(60)34-42(8-7-14-52-49(51)63)48(62)55-43-11-9-41(10-12-43)38-74-40(3)53-35-44-37-59(58-57-44)15-17-66-19-21-68-23-25-70-27-29-72-31-33-73-32-30-71-28-26-69-24-22-67-20-18-65-16-13-50(4,5)6;/h9-12,45,47,50,55,61-62,72H,3,7-8,13-44,46H2,1-2,4-6H3,(H,63,70)(H,64,69)(H3,59,60,71);8-11,40,42,44,49,57,68H,6-7,12-39,41H2,1-5H3,(H,56,67)(H,58,65)(H,59,64)(H3,54,55,66);9-12,37,39,42,47,53-54,64H,3,7-8,13-36,38H2,1-2,4-6H3,(H,55,62)(H,56,61)(H3,51,52,63);1H4/t50-,55+;44?,49-;42-,47+;/m101./s1
InChIKeyRQQSREGVYUYCLJ-DNMSWMKISA-N
MW3445.22 g/mol
LogP8.55
Rot. Bonds160

About (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane

(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane (PubChem CID 160701360) has the molecular formula C162H287N27O52 and a molecular weight of 3445.22 g/mol. Its IUPAC name is (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane.

Molecular Properties

Compound Name(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane
PubChem CID160701360
Molecular FormulaC162H287N27O52
Molecular Weight3445.22 g/mol
Exact Mass3443.06
IUPAC Name(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane
SMILESC.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CNO)C(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CNO)C(C)C)cc1.CC(C)[C@H](NC(=O)CNO)C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn2)cc1
InChIInChI=1S/C58H103N9O19.C53H93N9O18.C50H87N9O15.CH4/c1-47(2)55(64-54(69)44-62-72)53(68)42-50(8-7-14-60-57(59)71)56(70)63-51-11-9-49(10-12-51)46-86-48(3)61-43-52-45-67(66-65-52)15-17-74-19-21-76-23-25-78-27-29-80-31-33-82-35-37-84-39-41-85-40-38-83-36-34-81-32-30-79-28-26-77-24-22-75-20-18-73-16-13-58(4,5)6;1-42(2)49(59-48(64)39-57-68)47(63)37-44(7-6-13-55-51(54)66)50(65)58-45-10-8-43(9-11-45)41-80-52(67)56-38-46-40-62(61-60-46)14-16-70-18-20-72-22-24-74-26-28-76-30-32-78-34-36-79-35-33-77-31-29-75-27-25-73-23-21-71-19-17-69-15-12-53(3,4)5;1-39(2)47(56-46(61)36-54-64)45(60)34-42(8-7-14-52-49(51)63)48(62)55-43-11-9-41(10-12-43)38-74-40(3)53-35-44-37-59(58-57-44)15-17-66-19-21-68-23-25-70-27-29-72-31-33-73-32-30-71-28-26-69-24-22-67-20-18-65-16-13-50(4,5)6;/h9-12,45,47,50,55,61-62,72H,3,7-8,13-44,46H2,1-2,4-6H3,(H,63,70)(H,64,69)(H3,59,60,71);8-11,40,42,44,49,57,68H,6-7,12-39,41H2,1-5H3,(H,56,67)(H,58,65)(H,59,64)(H3,54,55,66);9-12,37,39,42,47,53-54,64H,3,7-8,13-36,38H2,1-2,4-6H3,(H,55,62)(H,56,61)(H3,51,52,63);1H4/t50-,55+;44?,49-;42-,47+;/m101./s1
InChIKeyRQQSREGVYUYCLJ-DNMSWMKISA-N
XLogP8.55
TPSA965.52 Ų
H-Bond Donors21
H-Bond Acceptors66
Rotatable Bonds160
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003445.22
LogP ≤ 58.55
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane with MolForge

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Related Compounds

[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate
CID 160750652
(2R,5S)-5-[[2-[1,3-bis(tert-butylsulfanyl)propan-2-ylideneamino]oxyacetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-6-methyl-4-oxoheptanamide
CID 158297867
(2R,5S)-5-[[2-[1,3-bis(tert-butylsulfanyl)propan-2-ylideneamino]oxyacetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-7-methyl-4-oxooctanamide;(2R,5S)-5-[[2-[1,3-bis(tert-butylsulfanyl)propan-2-ylideneamino]oxyacetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-7-methyl-4-oxooctanamide;(2R,5S)-5-[[2-[1,3-bis(tert-butylsulfanyl)propan-2-ylideneamino]oxyacetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-7-methyl-4-oxooctanamide;[4-[[(2R,5S)-5-[[2-[1,3-bis(tert-butylsulfanyl)propan-2-ylideneamino]oxyacetyl]amino]-2-[3-(carbamoylamino)propyl]-7-methyl-4-oxooctanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane
CID 160581359
[4-[[(2R,5S)-5-[2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethylcarbamoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 164976921
[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(7,7-dimethyloctanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-(4,4-dimethylpentyl)carbamate
CID 158907130
[4-[[(2S,5R)-2-[3-(carbamoylamino)propyl]-5-[3-(4,4-dimethyl-3-oxopentoxy)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-(5,5-dimethyl-4-oxohexoxy)ethoxy]ethyl]carbamate
CID 158203203
N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide
CID 159295268
N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide
CID 157074229
(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-(4,4-dimethylpentoxy)propanoylamino]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide
CID 163499254
benzyl N-[9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamate
CID 158750770
(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxo-5-[3-(2-propoxyethoxy)propanoylamino]heptanamide
CID 163777582
[4-[[(5S)-2-(4-aminobutyl)-5-[3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(5R)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[3-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 158518207

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane?
The IUPAC name of (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane (CID 160701360) is (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane.
What is the SMILES notation for (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane?
The canonical SMILES for (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane is C.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CNO)C(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CNO)C(C)C)cc1.CC(C)[C@H](NC(=O)CNO)C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn2)cc1.
What is the InChIKey of (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane?
The InChIKey is RQQSREGVYUYCLJ-DNMSWMKISA-N. The full InChI is InChI=1S/C58H103N9O19.C53H93N9O18.C50H87N9O15.CH4/c1-47(2)55(64-54(69)44-62-72)53(68)42-50(8-7-14-60-57(59)71)56(70)63-51-11-9-49(10-12-51)46-86-48(3)61-43-52-45-67(66-65-52)15-17-74-19-21-76-23-25-78-27-29-80-31-33-82-35-37-84-39-41-85-40-38-83-36-34-81-32-30-79-28-26-77-24-22-75-20-18-73-16-13-58(4,5)6;1-42(2)49(59-48(64)39-57-68)47(63)37-44(7-6-13-55-51(54)66)50(65)58-45-10-8-43(9-11-45)41-80-52(67)56-38-46-40-62(61-60-46)14-16-70-18-20-72-22-24-74-26-28-76-30-32-78-34-36-79-35-33-77-31-29-75-27-25-73-23-21-71-19-17-69-15-12-53(3,4)5;1-39(2)47(56-46(61)36-54-64)45(60)34-42(8-7-14-52-49(51)63)48(62)55-43-11-9-41(10-12-43)38-74-40(3)53-35-44-37-59(58-57-44)15-17-66-19-21-68-23-25-70-27-29-72-31-33-73-32-30-71-28-26-69-24-22-67-20-18-65-16-13-50(4,5)6;/h9-12,45,47,50,55,61-62,72H,3,7-8,13-44,46H2,1-2,4-6H3,(H,63,70)(H,64,69)(H3,59,60,71);8-11,40,42,44,49,57,68H,6-7,12-39,41H2,1-5H3,(H,56,67)(H,58,65)(H,59,64)(H3,54,55,66);9-12,37,39,42,47,53-54,64H,3,7-8,13-36,38H2,1-2,4-6H3,(H,55,62)(H,56,61)(H3,51,52,63);1H4/t50-,55+;44?,49-;42-,47+;/m101./s1.
What are the key properties of (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane?
(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane has a molecular weight of 3445.22 g/mol, XLogP of 8.55, 160 rotatable bonds, 21 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]ethenoxymethyl]phenyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanamide;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(hydroxyamino)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]carbamate;methane is sourced from PubChem (CID 160701360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).