1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide

C242H216F32N34O33S7 — CID 157313353

IUPAC1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)[C@H](Cc1cc(F)cc(F)c1)CS(=O)(=O)c1cccc(S(=O)(=O)C[C@H](Cc2cc(F)cc(F)c2)C(=O)N(CC=C)c2ccc(OC)cc2)c1)c1ccc(OC)cc1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2c(c1)ncn2C)c1ccc2c(ccn2C)c1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2c(cnn2C)c1)c1ccc2c(ccn2C)c1.Cc1ccc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@@H](Cc3cc(F)cc(F)c3)C(=O)N(C)c3ccc(C)nc3)ccc2F)cc1.Cc1nc2cc(N(C)C(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)c3ccc(F)c(C(=O)N[C@@H](Cc4cc(F)cc(F)c4)C(=O)N(C)c4ccc5sc(C)nc5c4)c3)ccc2s1
InChIInChI=1S/C46H44F4N2O8S2.C44H35F5N6O4S2.C41H36F5N5O4.2C38H36F4N8O5S.C35H29F10N5O7S/c1-5-18-51(39-10-14-41(59-3)15-11-39)45(53)33(20-31-22-35(47)26-36(48)23-31)29-61(55,56)43-8-7-9-44(28-43)62(57,58)30-34(21-32-24-37(49)27-38(50)25-32)46(54)52(19-6-2)40-12-16-42(60-4)17-13-40;1-22-50-35-20-31(6-9-39(35)60-22)54(3)43(58)37(15-24-11-27(45)18-28(46)12-24)52-41(56)26-5-8-34(49)33(17-26)42(57)53-38(16-25-13-29(47)19-30(48)14-25)44(59)55(4)32-7-10-40-36(21-32)51-23(2)61-40;1-23-5-9-32(10-6-23)50(3)40(54)37(18-26-15-30(44)21-31(45)16-26)49-39(53)34-19-27(8-12-35(34)46)38(52)48-36(17-25-13-28(42)20-29(43)14-25)41(55)51(4)33-11-7-24(2)47-22-33;1-47-10-9-24-17-30(5-7-34(24)47)48(2)36(51)32(15-22-11-26(39)19-27(40)12-22)44-38(53)46-56(54,55)45-33(16-23-13-28(41)20-29(42)14-23)37(52)49(3)31-6-8-35-25(18-31)21-43-50(35)4;1-47-10-9-24-17-29(5-7-34(24)47)49(3)36(51)32(15-22-11-25(39)18-26(40)12-22)44-38(53)46-56(54,55)45-33(16-23-13-27(41)19-28(42)14-23)37(52)50(4)30-6-8-35-31(20-30)43-21-48(35)2;1-49(25-3-7-27(8-4-25)56-34(40,41)42)31(51)29(15-19-11-21(36)17-22(37)12-19)46-33(53)48-58(54,55)47-30(16-20-13-23(38)18-24(39)14-20)32(52)50(2)26-5-9-28(10-6-26)57-35(43,44)45/h5-17,22-28,33-34H,1-2,18-21,29-30H2,3-4H3;5-14,17-21,37-38H,15-16H2,1-4H3,(H,52,56)(H,53,57);5-16,19-22,36-37H,17-18H2,1-4H3,(H,48,52)(H,49,53);2*5-14,17-21,32-33,45H,15-16H2,1-4H3,(H2,44,46,53);3-14,17-18,29-30,47H,15-16H2,1-2H3,(H2,46,48,53)/t33-,34+;37-,38-;36-,37-;2*32-,33-;29-,30-/m.00000/s1
InChIKeyBDHHKZCEZPVAGV-WSHRTSMPSA-N
MW4961.00 g/mol
LogP37.82
Rot. Bonds82

About 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide

1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide (PubChem CID 157313353) has the molecular formula C242H216F32N34O33S7 and a molecular weight of 4961.00 g/mol. Its IUPAC name is 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide
PubChem CID157313353
Molecular FormulaC242H216F32N34O33S7
Molecular Weight4961.00 g/mol
Exact Mass4957.38
IUPAC Name1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)[C@H](Cc1cc(F)cc(F)c1)CS(=O)(=O)c1cccc(S(=O)(=O)C[C@H](Cc2cc(F)cc(F)c2)C(=O)N(CC=C)c2ccc(OC)cc2)c1)c1ccc(OC)cc1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2c(c1)ncn2C)c1ccc2c(ccn2C)c1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2c(cnn2C)c1)c1ccc2c(ccn2C)c1.Cc1ccc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@@H](Cc3cc(F)cc(F)c3)C(=O)N(C)c3ccc(C)nc3)ccc2F)cc1.Cc1nc2cc(N(C)C(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)c3ccc(F)c(C(=O)N[C@@H](Cc4cc(F)cc(F)c4)C(=O)N(C)c4ccc5sc(C)nc5c4)c3)ccc2s1
InChIInChI=1S/C46H44F4N2O8S2.C44H35F5N6O4S2.C41H36F5N5O4.2C38H36F4N8O5S.C35H29F10N5O7S/c1-5-18-51(39-10-14-41(59-3)15-11-39)45(53)33(20-31-22-35(47)26-36(48)23-31)29-61(55,56)43-8-7-9-44(28-43)62(57,58)30-34(21-32-24-37(49)27-38(50)25-32)46(54)52(19-6-2)40-12-16-42(60-4)17-13-40;1-22-50-35-20-31(6-9-39(35)60-22)54(3)43(58)37(15-24-11-27(45)18-28(46)12-24)52-41(56)26-5-8-34(49)33(17-26)42(57)53-38(16-25-13-29(47)19-30(48)14-25)44(59)55(4)32-7-10-40-36(21-32)51-23(2)61-40;1-23-5-9-32(10-6-23)50(3)40(54)37(18-26-15-30(44)21-31(45)16-26)49-39(53)34-19-27(8-12-35(34)46)38(52)48-36(17-25-13-28(42)20-29(43)14-25)41(55)51(4)33-11-7-24(2)47-22-33;1-47-10-9-24-17-30(5-7-34(24)47)48(2)36(51)32(15-22-11-26(39)19-27(40)12-22)44-38(53)46-56(54,55)45-33(16-23-13-28(41)20-29(42)14-23)37(52)49(3)31-6-8-35-25(18-31)21-43-50(35)4;1-47-10-9-24-17-29(5-7-34(24)47)49(3)36(51)32(15-22-11-25(39)18-26(40)12-22)44-38(53)46-56(54,55)45-33(16-23-13-27(41)19-28(42)14-23)37(52)50(4)30-6-8-35-31(20-30)43-21-48(35)2;1-49(25-3-7-27(8-4-25)56-34(40,41)42)31(51)29(15-19-11-21(36)17-22(37)12-19)46-33(53)48-58(54,55)47-30(16-20-13-23(38)18-24(39)14-20)32(52)50(2)26-5-9-28(10-6-26)57-35(43,44)45/h5-17,22-28,33-34H,1-2,18-21,29-30H2,3-4H3;5-14,17-21,37-38H,15-16H2,1-4H3,(H,52,56)(H,53,57);5-16,19-22,36-37H,17-18H2,1-4H3,(H,48,52)(H,49,53);2*5-14,17-21,32-33,45H,15-16H2,1-4H3,(H2,44,46,53);3-14,17-18,29-30,47H,15-16H2,1-2H3,(H2,46,48,53)/t33-,34+;37-,38-;36-,37-;2*32-,33-;29-,30-/m.00000/s1
InChIKeyBDHHKZCEZPVAGV-WSHRTSMPSA-N
XLogP37.82
TPSA811.39 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds82
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004961.00
LogP ≤ 537.82
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Analyze 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide with MolForge

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Related Compounds

1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-3-N-[3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide
CID 134344846
2-[[(2S)-1-(N-but-3-enyl-4-methoxyanilino)-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide
CID 145175846
1-N-[(2S)-1-[1,3-benzothiazol-5-yl(methyl)amino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]-3-N-[(2S)-1-[1-benzothiophen-5-yl(methyl)amino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide
CID 134338291
1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[(2-ethylpyrimidin-5-yl)-methylamino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide
CID 122647285
N-(1,3-benzothiazol-5-yl)-2-[[(2S)-1-[1,3-benzothiazol-5-yl(but-3-enyl)amino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-but-3-enyl-3-(3,5-difluorophenyl)propanamide
CID 134344656
N-(1,3-benzothiazol-5-yl)-3-(3,5-difluorophenyl)-2-[[(3-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methylpropanamide
CID 145175384
(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide
CID 122648302
3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide
CID 118037987
(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]sulfamoylmethylsulfonylmethyl]-N-(4-methoxyphenyl)-N-methylpropanamide
CID 134338303
(2S)-3-(3,5-difluorophenyl)-2-[[2-[3-[2-[[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]phenyl]acetyl]amino]-N-(4-methoxyphenyl)-N-methylpropanamide;(2S)-2-[[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]carbamoylsulfamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;(2S)-2-[[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;iron;(2S)-2-[[2-[3-[2-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;(2S)-2-[[2-[4-[2-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]phenyl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;bis(N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide)
CID 162294308
(2S)-N-(6-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-[(6-cyclopropyl-3-pyridinyl)-methylamino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamoylsulfamoylmethyl]-3-(3,5-difluorophenyl)-N-methylpropanamide;sulfane
CID 159568850
3-N-[(2S)-1-[1,3-benzothiazol-5-yl(methyl)amino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]-1-N-[(2S)-1-[1-benzothiophen-5-yl(methyl)amino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]benzene-1,3-dicarboxamide;3-N-[(2S)-1-[1,3-benzothiazol-5-yl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-1-N-[(2S)-1-[1-benzothiophen-5-yl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide;1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]benzene-1,3-dicarboxamide;(2S)-2-[[2-[5-chloro-3-[2-[[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetyl]amino]-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)-N-methylpropanamide;(2S)-2-[[2-[5-chloro-3-[2-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[3-[2-[[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methylpropanamide
CID 159272785

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide?
The IUPAC name of 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide (CID 157313353) is 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide?
The canonical SMILES for 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide is C=CCN(C(=O)[C@H](Cc1cc(F)cc(F)c1)CS(=O)(=O)c1cccc(S(=O)(=O)C[C@H](Cc2cc(F)cc(F)c2)C(=O)N(CC=C)c2ccc(OC)cc2)c1)c1ccc(OC)cc1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2c(c1)ncn2C)c1ccc2c(ccn2C)c1.CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2c(cnn2C)c1)c1ccc2c(ccn2C)c1.Cc1ccc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@@H](Cc3cc(F)cc(F)c3)C(=O)N(C)c3ccc(C)nc3)ccc2F)cc1.Cc1nc2cc(N(C)C(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)c3ccc(F)c(C(=O)N[C@@H](Cc4cc(F)cc(F)c4)C(=O)N(C)c4ccc5sc(C)nc5c4)c3)ccc2s1.
What is the InChIKey of 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide?
The InChIKey is BDHHKZCEZPVAGV-WSHRTSMPSA-N. The full InChI is InChI=1S/C46H44F4N2O8S2.C44H35F5N6O4S2.C41H36F5N5O4.2C38H36F4N8O5S.C35H29F10N5O7S/c1-5-18-51(39-10-14-41(59-3)15-11-39)45(53)33(20-31-22-35(47)26-36(48)23-31)29-61(55,56)43-8-7-9-44(28-43)62(57,58)30-34(21-32-24-37(49)27-38(50)25-32)46(54)52(19-6-2)40-12-16-42(60-4)17-13-40;1-22-50-35-20-31(6-9-39(35)60-22)54(3)43(58)37(15-24-11-27(45)18-28(46)12-24)52-41(56)26-5-8-34(49)33(17-26)42(57)53-38(16-25-13-29(47)19-30(48)14-25)44(59)55(4)32-7-10-40-36(21-32)51-23(2)61-40;1-23-5-9-32(10-6-23)50(3)40(54)37(18-26-15-30(44)21-31(45)16-26)49-39(53)34-19-27(8-12-35(34)46)38(52)48-36(17-25-13-28(42)20-29(43)14-25)41(55)51(4)33-11-7-24(2)47-22-33;1-47-10-9-24-17-30(5-7-34(24)47)48(2)36(51)32(15-22-11-26(39)19-27(40)12-22)44-38(53)46-56(54,55)45-33(16-23-13-28(41)20-29(42)14-23)37(52)49(3)31-6-8-35-25(18-31)21-43-50(35)4;1-47-10-9-24-17-29(5-7-34(24)47)49(3)36(51)32(15-22-11-25(39)18-26(40)12-22)44-38(53)46-56(54,55)45-33(16-23-13-27(41)19-28(42)14-23)37(52)50(4)30-6-8-35-31(20-30)43-21-48(35)2;1-49(25-3-7-27(8-4-25)56-34(40,41)42)31(51)29(15-19-11-21(36)17-22(37)12-19)46-33(53)48-58(54,55)47-30(16-20-13-23(38)18-24(39)14-20)32(52)50(2)26-5-9-28(10-6-26)57-35(43,44)45/h5-17,22-28,33-34H,1-2,18-21,29-30H2,3-4H3;5-14,17-21,37-38H,15-16H2,1-4H3,(H,52,56)(H,53,57);5-16,19-22,36-37H,17-18H2,1-4H3,(H,48,52)(H,49,53);2*5-14,17-21,32-33,45H,15-16H2,1-4H3,(H2,44,46,53);3-14,17-18,29-30,47H,15-16H2,1-2H3,(H2,46,48,53)/t33-,34+;37-,38-;36-,37-;2*32-,33-;29-,30-/m.00000/s1.
What are the key properties of 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide?
1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide has a molecular weight of 4961.00 g/mol, XLogP of 37.82, 82 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(2-methyl-1,3-benzothiazol-5-yl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylbenzimidazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(1-methylindazol-5-yl)amino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindol-5-yl)propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-3-(3,5-difluorophenyl)-1-[N-methyl-4-(trifluoromethoxy)anilino]-1-oxopropan-2-yl]sulfamoylcarbamoylamino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide;3-N-[(2S)-3-(3,5-difluorophenyl)-1-(N,4-dimethylanilino)-1-oxopropan-2-yl]-1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide;(2R)-2-[(3,5-difluorophenyl)methyl]-3-[3-[(2S)-2-[(3,5-difluorophenyl)methyl]-3-(4-methoxy-N-prop-2-enylanilino)-3-oxopropyl]sulfonylphenyl]sulfonyl-N-(4-methoxyphenyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 157313353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).