[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid

C208H356N24O70P4 — CID 160571940

IUPAC[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](C)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O
InChIInChI=1S/C59H99N6O18P.C59H99N6O17P.C45H79N6O18P.C45H79N6O17P/c1-45(2)37-51(62-59(72)53-18-14-21-65(53)56(69)19-22-77-25-26-79-29-30-81-33-34-83-36-35-82-32-31-80-28-27-78-24-23-76-4)54(67)39-48(58(71)63-52(42-66)55(68)40-50(57(60)70)46(3)43-84(73,74)75)38-49-41-61-44-64(49)20-13-8-6-5-7-10-15-47-16-11-9-12-17-47;1-45(2)38-52(63-59(71)53-19-15-22-65(53)56(68)20-23-76-26-27-78-30-31-80-34-35-82-37-36-81-33-32-79-29-28-77-25-24-75-5)55(67)40-49(58(70)62-47(4)54(66)41-51(57(60)69)46(3)43-83(72,73)74)39-50-42-61-44-64(50)21-14-9-7-6-8-11-16-48-17-12-10-13-18-48;1-32(2)24-37(40(53)26-34(25-35-28-47-31-48-35)44(57)50-38(29-52)41(54)27-36(43(46)56)33(3)30-70(59,60)61)49-45(58)39-6-5-8-51(39)42(55)7-9-63-12-13-65-16-17-67-20-21-69-23-22-68-19-18-66-15-14-64-11-10-62-4;1-32(2)25-38(41(53)27-35(26-36-29-47-31-48-36)44(56)49-34(4)40(52)28-37(43(46)55)33(3)30-69(58,59)60)50-45(57)39-7-6-9-51(39)42(54)8-10-62-13-14-64-17-18-66-21-22-68-24-23-67-20-19-65-16-15-63-12-11-61-5/h9,11-12,16-17,41,44-46,48,50-53,66H,5-8,10,13-15,18-40,42-43H2,1-4H3,(H2,60,70)(H,62,72)(H,63,71)(H2,73,74,75);10,12-13,17-18,42,44-47,49,51-53H,6-9,11,14-16,19-41,43H2,1-5H3,(H2,60,69)(H,62,70)(H,63,71)(H2,72,73,74);28,31-34,36-39,52H,5-27,29-30H2,1-4H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H2,59,60,61);29,31-35,37-39H,6-28,30H2,1-5H3,(H2,46,55)(H,47,48)(H,49,56)(H,50,57)(H2,58,59,60)/t46-,48+,50-,51-,52-,53-;46-,47-,49+,51-,52-,53-;33-,34+,36-,37-,38-,39-;33-,34-,35+,37-,38-,39-/m0000/s1
InChIKeyRAQWXURCLYUYJS-HBFOJCEZSA-N
MW4437.13 g/mol
LogP8.38
Rot. Bonds188

About [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid

[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid (PubChem CID 160571940) has the molecular formula C208H356N24O70P4 and a molecular weight of 4437.13 g/mol. Its IUPAC name is [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid.

Molecular Properties

Compound Name[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid
PubChem CID160571940
Molecular FormulaC208H356N24O70P4
Molecular Weight4437.13 g/mol
Exact Mass4434.40
IUPAC Name[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](C)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O
InChIInChI=1S/C59H99N6O18P.C59H99N6O17P.C45H79N6O18P.C45H79N6O17P/c1-45(2)37-51(62-59(72)53-18-14-21-65(53)56(69)19-22-77-25-26-79-29-30-81-33-34-83-36-35-82-32-31-80-28-27-78-24-23-76-4)54(67)39-48(58(71)63-52(42-66)55(68)40-50(57(60)70)46(3)43-84(73,74)75)38-49-41-61-44-64(49)20-13-8-6-5-7-10-15-47-16-11-9-12-17-47;1-45(2)38-52(63-59(71)53-19-15-22-65(53)56(68)20-23-76-26-27-78-30-31-80-34-35-82-37-36-81-33-32-79-29-28-77-25-24-75-5)55(67)40-49(58(70)62-47(4)54(66)41-51(57(60)69)46(3)43-83(72,73)74)39-50-42-61-44-64(50)21-14-9-7-6-8-11-16-48-17-12-10-13-18-48;1-32(2)24-37(40(53)26-34(25-35-28-47-31-48-35)44(57)50-38(29-52)41(54)27-36(43(46)56)33(3)30-70(59,60)61)49-45(58)39-6-5-8-51(39)42(55)7-9-63-12-13-65-16-17-67-20-21-69-23-22-68-19-18-66-15-14-64-11-10-62-4;1-32(2)25-38(41(53)27-35(26-36-29-47-31-48-36)44(56)49-34(4)40(52)28-37(43(46)55)33(3)30-69(58,59)60)50-45(57)39-7-6-9-51(39)42(54)8-10-62-13-14-64-17-18-66-21-22-68-24-23-67-20-19-65-16-15-63-12-11-61-5/h9,11-12,16-17,41,44-46,48,50-53,66H,5-8,10,13-15,18-40,42-43H2,1-4H3,(H2,60,70)(H,62,72)(H,63,71)(H2,73,74,75);10,12-13,17-18,42,44-47,49,51-53H,6-9,11,14-16,19-41,43H2,1-5H3,(H2,60,69)(H,62,70)(H,63,71)(H2,72,73,74);28,31-34,36-39,52H,5-27,29-30H2,1-4H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H2,59,60,61);29,31-35,37-39H,6-28,30H2,1-5H3,(H2,46,55)(H,47,48)(H,49,56)(H,50,57)(H2,58,59,60)/t46-,48+,50-,51-,52-,53-;46-,47-,49+,51-,52-,53-;33-,34+,36-,37-,38-,39-;33-,34-,35+,37-,38-,39-/m0000/s1
InChIKeyRAQWXURCLYUYJS-HBFOJCEZSA-N
XLogP8.38
TPSA1281.90 Ų
H-Bond Donors24
H-Bond Acceptors68
Rotatable Bonds188
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004437.13
LogP ≤ 58.38
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1068

Analyze [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3S,6S)-3-acetyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(4-phenylbutyl)imidazol-4-yl]methyl]octanoyl]amino]-5-oxoheptan-2-yl] dihydrogen phosphate
CID 160691257
(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide
CID 161305678
[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-5-oxoheptan-2-yl] methyl hydrogen phosphate
CID 160854065
[(2R,3S,6S)-3-acetyl-6-[[(2R,5S)-5-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-7-hydroxy-5-oxoheptan-2-yl] dihydrogen phosphate
CID 153185349
[(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S,4S)-1-acetyl-4-(4-phenylbutoxy)pyrrolidine-2-carbonyl]amino]-2-(1H-imidazol-5-ylmethyl)-7-methyl-4-oxooctanoyl]amino]-3-carbamoyl-7-hydroxy-2-methyl-5-oxoheptyl]phosphonic acid
CID 158983766
[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-[(3-ethylimidazol-4-yl)methyl]-5-[[(2S)-1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-7-hydroxy-5-oxoheptan-2-yl] dihydrogen phosphate
CID 158717558
butyl [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-5-oxoheptan-2-yl] hydrogen phosphate
CID 159046026
[(2R,3S)-4-amino-3-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methyl-4-oxobutyl]phosphonic acid
CID 90166981
[(2R,3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-(9-phenylnonyl)imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutan-2-yl] dihydrogen phosphate
CID 90166724
[(3S,6S)-3-acetyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S,4R)-1-[3-(2-methoxyethoxy)propanoyl]-4-(3-phenylpropanoylamino)oxypyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-5-oxoheptan-2-yl] dihydrogen phosphate
CID 162234629
3-aminopropyl [(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-2-(1H-imidazol-5-ylmethyl)-7-methyl-4-oxooctanoyl]amino]-3-carbamoyl-7-hydroxy-5-oxoheptan-2-yl] hydrogen phosphate
CID 159046028
[(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-2-(1H-imidazol-5-ylmethyl)-7-methyl-4-oxooctanoyl]amino]-3-carbamoyl-7-hydroxy-5-oxoheptan-2-yl] 2-thiophen-2-ylethyl hydrogen phosphate
CID 159046029

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid?
The IUPAC name of [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid (CID 160571940) is [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid.
What is the SMILES notation for [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid?
The canonical SMILES for [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid is COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](C)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)C[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O.
What is the InChIKey of [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid?
The InChIKey is RAQWXURCLYUYJS-HBFOJCEZSA-N. The full InChI is InChI=1S/C59H99N6O18P.C59H99N6O17P.C45H79N6O18P.C45H79N6O17P/c1-45(2)37-51(62-59(72)53-18-14-21-65(53)56(69)19-22-77-25-26-79-29-30-81-33-34-83-36-35-82-32-31-80-28-27-78-24-23-76-4)54(67)39-48(58(71)63-52(42-66)55(68)40-50(57(60)70)46(3)43-84(73,74)75)38-49-41-61-44-64(49)20-13-8-6-5-7-10-15-47-16-11-9-12-17-47;1-45(2)38-52(63-59(71)53-19-15-22-65(53)56(68)20-23-76-26-27-78-30-31-80-34-35-82-37-36-81-33-32-79-29-28-77-25-24-75-5)55(67)40-49(58(70)62-47(4)54(66)41-51(57(60)69)46(3)43-83(72,73)74)39-50-42-61-44-64(50)21-14-9-7-6-8-11-16-48-17-12-10-13-18-48;1-32(2)24-37(40(53)26-34(25-35-28-47-31-48-35)44(57)50-38(29-52)41(54)27-36(43(46)56)33(3)30-70(59,60)61)49-45(58)39-6-5-8-51(39)42(55)7-9-63-12-13-65-16-17-67-20-21-69-23-22-68-19-18-66-15-14-64-11-10-62-4;1-32(2)25-38(41(53)27-35(26-36-29-47-31-48-36)44(56)49-34(4)40(52)28-37(43(46)55)33(3)30-69(58,59)60)50-45(57)39-7-6-9-51(39)42(54)8-10-62-13-14-64-17-18-66-21-22-68-24-23-67-20-19-65-16-15-63-12-11-61-5/h9,11-12,16-17,41,44-46,48,50-53,66H,5-8,10,13-15,18-40,42-43H2,1-4H3,(H2,60,70)(H,62,72)(H,63,71)(H2,73,74,75);10,12-13,17-18,42,44-47,49,51-53H,6-9,11,14-16,19-41,43H2,1-5H3,(H2,60,69)(H,62,70)(H,63,71)(H2,72,73,74);28,31-34,36-39,52H,5-27,29-30H2,1-4H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H2,59,60,61);29,31-35,37-39H,6-28,30H2,1-5H3,(H2,46,55)(H,47,48)(H,49,56)(H,50,57)(H2,58,59,60)/t46-,48+,50-,51-,52-,53-;46-,47-,49+,51-,52-,53-;33-,34+,36-,37-,38-,39-;33-,34-,35+,37-,38-,39-/m0000/s1.
What are the key properties of [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid?
[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid has a molecular weight of 4437.13 g/mol, XLogP of 8.38, 188 rotatable bonds, 24 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid is sourced from PubChem (CID 160571940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).