(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

C240H422N36O57S8 — CID 160581359

IUPAC(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
SMILESC.C=C(NCc1cn(CCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.CC(C)C[C@H](NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn2)cc1
InChIInChI=1S/C66H117N9O17S2.C61H107N9O16S2.C58H101N9O13S2.C54H93N9O11S2.CH4/c1-52(2)44-59(71-61(77)49-92-73-58(50-93-65(7,8)9)51-94-66(10,11)12)60(76)45-55(14-13-20-68-63(67)79)62(78)70-56-17-15-54(16-18-56)48-91-53(3)69-46-57-47-75(74-72-57)21-23-81-25-27-83-29-31-85-33-35-87-37-39-89-41-43-90-42-40-88-38-36-86-34-32-84-30-28-82-26-24-80-22-19-64(4,5)6;1-47(2)39-53(66-55(72)44-86-68-52(45-87-60(6,7)8)46-88-61(9,10)11)54(71)40-49(13-12-19-63-57(62)74)56(73)65-50-16-14-48(15-17-50)43-85-58(75)64-41-51-42-70(69-67-51)20-22-77-24-26-79-28-30-81-32-34-83-36-38-84-37-35-82-33-31-80-29-27-78-25-23-76-21-18-59(3,4)5;1-44(2)36-51(63-53(69)41-80-65-50(42-81-57(7,8)9)43-82-58(10,11)12)52(68)37-47(14-13-20-60-55(59)71)54(70)62-48-17-15-46(16-18-48)40-79-45(3)61-38-49-39-67(66-64-49)21-23-73-25-27-75-29-31-77-33-35-78-34-32-76-30-28-74-26-24-72-22-19-56(4,5)6;1-40(2)32-47(59-49(65)37-74-61-46(38-75-53(7,8)9)39-76-54(10,11)12)48(64)33-43(14-13-20-56-51(55)67)50(66)58-44-17-15-42(16-18-44)36-73-41(3)57-34-45-35-63(62-60-45)21-23-69-25-27-71-29-31-72-30-28-70-26-24-68-22-19-52(4,5)6;/h15-18,47,52,55,59,69H,3,13-14,19-46,48-51H2,1-2,4-12H3,(H,70,78)(H,71,77)(H3,67,68,79);14-17,42,47,49,53H,12-13,18-41,43-46H2,1-11H3,(H,64,75)(H,65,73)(H,66,72)(H3,62,63,74);15-18,39,44,47,51,61H,3,13-14,19-38,40-43H2,1-2,4-12H3,(H,62,70)(H,63,69)(H3,59,60,71);15-18,35,40,43,47,57H,3,13-14,19-34,36-39H2,1-2,4-12H3,(H,58,66)(H,59,65)(H3,55,56,67);1H4/t55-,59+;49-,53+;47?,51-;43?,47-;/m1100./s1
InChIKeyRBVCEQHPVMXREN-HJTGXGLRSA-N
MW4980.75 g/mol
LogP30.50
Rot. Bonds202

About (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

(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 (PubChem CID 160581359) has the molecular formula C240H422N36O57S8 and a molecular weight of 4980.75 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160581359
Molecular FormulaC240H422N36O57S8
Molecular Weight4980.75 g/mol
Exact Mass4976.90
IUPAC Name(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
SMILESC.C=C(NCc1cn(CCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.CC(C)C[C@H](NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn2)cc1
InChIInChI=1S/C66H117N9O17S2.C61H107N9O16S2.C58H101N9O13S2.C54H93N9O11S2.CH4/c1-52(2)44-59(71-61(77)49-92-73-58(50-93-65(7,8)9)51-94-66(10,11)12)60(76)45-55(14-13-20-68-63(67)79)62(78)70-56-17-15-54(16-18-56)48-91-53(3)69-46-57-47-75(74-72-57)21-23-81-25-27-83-29-31-85-33-35-87-37-39-89-41-43-90-42-40-88-38-36-86-34-32-84-30-28-82-26-24-80-22-19-64(4,5)6;1-47(2)39-53(66-55(72)44-86-68-52(45-87-60(6,7)8)46-88-61(9,10)11)54(71)40-49(13-12-19-63-57(62)74)56(73)65-50-16-14-48(15-17-50)43-85-58(75)64-41-51-42-70(69-67-51)20-22-77-24-26-79-28-30-81-32-34-83-36-38-84-37-35-82-33-31-80-29-27-78-25-23-76-21-18-59(3,4)5;1-44(2)36-51(63-53(69)41-80-65-50(42-81-57(7,8)9)43-82-58(10,11)12)52(68)37-47(14-13-20-60-55(59)71)54(70)62-48-17-15-46(16-18-48)40-79-45(3)61-38-49-39-67(66-64-49)21-23-73-25-27-75-29-31-77-33-35-78-34-32-76-30-28-74-26-24-72-22-19-56(4,5)6;1-40(2)32-47(59-49(65)37-74-61-46(38-75-53(7,8)9)39-76-54(10,11)12)48(64)33-43(14-13-20-56-51(55)67)50(66)58-44-17-15-42(16-18-44)36-73-41(3)57-34-45-35-63(62-60-45)21-23-69-25-27-71-29-31-72-30-28-70-26-24-68-22-19-52(4,5)6;/h15-18,47,52,55,59,69H,3,13-14,19-46,48-51H2,1-2,4-12H3,(H,70,78)(H,71,77)(H3,67,68,79);14-17,42,47,49,53H,12-13,18-41,43-46H2,1-11H3,(H,64,75)(H,65,73)(H,66,72)(H3,62,63,74);15-18,39,44,47,51,61H,3,13-14,19-38,40-43H2,1-2,4-12H3,(H,62,70)(H,63,69)(H3,59,60,71);15-18,35,40,43,47,57H,3,13-14,19-34,36-39H2,1-2,4-12H3,(H,58,66)(H,59,65)(H3,55,56,67);1H4/t55-,59+;49-,53+;47?,51-;43?,47-;/m1100./s1
InChIKeyRBVCEQHPVMXREN-HJTGXGLRSA-N
XLogP30.50
TPSA1128.23 Ų
H-Bond Donors20
H-Bond Acceptors84
Rotatable Bonds202
Heavy Atoms341
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004980.75
LogP ≤ 530.50
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1084

Analyze (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 with MolForge

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Related Compounds

(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)-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
[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
[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
2-[[2-[[2-[[2-[(E)-(1-tert-butylsulfanyl-3-propan-2-ylsulfanylpropan-2-ylidene)amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide
CID 172950858
[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
[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
[1-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-[(Z)-(1-methylsulfanyl-3-propan-2-ylsulfanylpropan-2-ylidene)amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 138630332
[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-[[6-amino-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 164776671
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C.C=C(NCc1cn(CCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.C=C(NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CC(C)C)NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)cc1.CC(C)C[C@H](NC(=O)CON=C(CSC(C)(C)C)CSC(C)(C)C)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn2)cc1.
What is the InChIKey of (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?
The InChIKey is RBVCEQHPVMXREN-HJTGXGLRSA-N. The full InChI is InChI=1S/C66H117N9O17S2.C61H107N9O16S2.C58H101N9O13S2.C54H93N9O11S2.CH4/c1-52(2)44-59(71-61(77)49-92-73-58(50-93-65(7,8)9)51-94-66(10,11)12)60(76)45-55(14-13-20-68-63(67)79)62(78)70-56-17-15-54(16-18-56)48-91-53(3)69-46-57-47-75(74-72-57)21-23-81-25-27-83-29-31-85-33-35-87-37-39-89-41-43-90-42-40-88-38-36-86-34-32-84-30-28-82-26-24-80-22-19-64(4,5)6;1-47(2)39-53(66-55(72)44-86-68-52(45-87-60(6,7)8)46-88-61(9,10)11)54(71)40-49(13-12-19-63-57(62)74)56(73)65-50-16-14-48(15-17-50)43-85-58(75)64-41-51-42-70(69-67-51)20-22-77-24-26-79-28-30-81-32-34-83-36-38-84-37-35-82-33-31-80-29-27-78-25-23-76-21-18-59(3,4)5;1-44(2)36-51(63-53(69)41-80-65-50(42-81-57(7,8)9)43-82-58(10,11)12)52(68)37-47(14-13-20-60-55(59)71)54(70)62-48-17-15-46(16-18-48)40-79-45(3)61-38-49-39-67(66-64-49)21-23-73-25-27-75-29-31-77-33-35-78-34-32-76-30-28-74-26-24-72-22-19-56(4,5)6;1-40(2)32-47(59-49(65)37-74-61-46(38-75-53(7,8)9)39-76-54(10,11)12)48(64)33-43(14-13-20-56-51(55)67)50(66)58-44-17-15-42(16-18-44)36-73-41(3)57-34-45-35-63(62-60-45)21-23-69-25-27-71-29-31-72-30-28-70-26-24-68-22-19-52(4,5)6;/h15-18,47,52,55,59,69H,3,13-14,19-46,48-51H2,1-2,4-12H3,(H,70,78)(H,71,77)(H3,67,68,79);14-17,42,47,49,53H,12-13,18-41,43-46H2,1-11H3,(H,64,75)(H,65,73)(H,66,72)(H3,62,63,74);15-18,39,44,47,51,61H,3,13-14,19-38,40-43H2,1-2,4-12H3,(H,62,70)(H,63,69)(H3,59,60,71);15-18,35,40,43,47,57H,3,13-14,19-34,36-39H2,1-2,4-12H3,(H,58,66)(H,59,65)(H3,55,56,67);1H4/t55-,59+;49-,53+;47?,51-;43?,47-;/m1100./s1.
What are the key properties of (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?
(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 has a molecular weight of 4980.75 g/mol, XLogP of 30.50, 202 rotatable bonds, 20 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160581359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).