tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

C207H333N25O39S5 — CID 159545935

IUPACtert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESC#CCCC(NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C.C#CCCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C.C#CCCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C.CC(C)(C)OC(=O)CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C.CCC(C)(C)S(=O)(=O)CC1(NC(=O)N[C@H](C(=O)N2C[C@H]3C([C@H]2C(=O)NC(CC2CC2)C(=O)C(=O)NCCC(=O)OC(C)(C)C)C3(C)C)C2(C)CCCCC2)CCCCC1
InChIInChI=1S/C44H73N5O9S.C43H71N5O9S.C41H65N5O7S.C40H63N5O7S.C39H61N5O7S/c1-10-41(5,6)59(56,57)27-44(22-15-12-16-23-44)48-39(55)47-35(43(9)20-13-11-14-21-43)38(54)49-26-29-32(42(29,7)8)33(49)36(52)46-30(25-28-17-18-28)34(51)37(53)45-24-19-31(50)58-40(2,3)4;1-39(2,3)57-30(49)18-23-44-36(52)33(50)29(24-27-16-17-27)45-35(51)32-31-28(41(31,7)8)25-48(32)37(53)34(42(9)19-12-10-13-20-42)46-38(54)47-43(21-14-11-15-22-43)26-58(55,56)40(4,5)6;1-8-10-23-42-35(49)32(47)29(24-27-17-18-27)43-34(48)31-30-28(39(30,5)6)25-46(31)36(50)33(40(7)19-13-11-14-20-40)44-37(51)45-41(21-15-12-16-22-41)26-54(52,53)38(3,4)9-2;1-8-9-22-41-34(48)31(46)28(23-26-16-17-26)42-33(47)30-29-27(38(29,5)6)24-45(30)35(49)32(39(7)18-12-10-13-19-39)43-36(50)44-40(20-14-11-15-21-40)25-53(51,52)37(2,3)4;1-9-11-18-27(30(45)33(47)40-23-10-2)41-32(46)29-28-26(37(28,6)7)24-44(29)34(48)31(38(8)19-14-12-15-20-38)42-35(49)43-39(21-16-13-17-22-39)25-52(50,51)36(3,4)5/h28-30,32-33,35H,10-27H2,1-9H3,(H,45,53)(H,46,52)(H2,47,48,55);27-29,31-32,34H,10-26H2,1-9H3,(H,44,52)(H,45,51)(H2,46,47,54);1,27-31,33H,9-26H2,2-7H3,(H,42,49)(H,43,48)(H2,44,45,51);1,26-30,32H,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,10,26-29,31H,2,11-25H2,3-8H3,(H,40,47)(H,41,46)(H2,42,43,49)/t29-,30?,32?,33-,35+;28-,29?,31?,32-,34+;28-,29?,30?,31-,33+;27-,28?,29?,30-,32+;26-,27?,28?,29-,31+/m00000/s1
InChIKeyMEUKQJIFEZAPFH-ABDPRNFASA-N
MW3956.41 g/mol
LogP22.06
Rot. Bonds76

About tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 159545935) has the molecular formula C207H333N25O39S5 and a molecular weight of 3956.41 g/mol. Its IUPAC name is tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Nametert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID159545935
Molecular FormulaC207H333N25O39S5
Molecular Weight3956.41 g/mol
Exact Mass3953.34
IUPAC Nametert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESC#CCCC(NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C.C#CCCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C.C#CCCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C.CC(C)(C)OC(=O)CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C.CCC(C)(C)S(=O)(=O)CC1(NC(=O)N[C@H](C(=O)N2C[C@H]3C([C@H]2C(=O)NC(CC2CC2)C(=O)C(=O)NCCC(=O)OC(C)(C)C)C3(C)C)C2(C)CCCCC2)CCCCC1
InChIInChI=1S/C44H73N5O9S.C43H71N5O9S.C41H65N5O7S.C40H63N5O7S.C39H61N5O7S/c1-10-41(5,6)59(56,57)27-44(22-15-12-16-23-44)48-39(55)47-35(43(9)20-13-11-14-21-43)38(54)49-26-29-32(42(29,7)8)33(49)36(52)46-30(25-28-17-18-28)34(51)37(53)45-24-19-31(50)58-40(2,3)4;1-39(2,3)57-30(49)18-23-44-36(52)33(50)29(24-27-16-17-27)45-35(51)32-31-28(41(31,7)8)25-48(32)37(53)34(42(9)19-12-10-13-20-42)46-38(54)47-43(21-14-11-15-22-43)26-58(55,56)40(4,5)6;1-8-10-23-42-35(49)32(47)29(24-27-17-18-27)43-34(48)31-30-28(39(30,5)6)25-46(31)36(50)33(40(7)19-13-11-14-20-40)44-37(51)45-41(21-15-12-16-22-41)26-54(52,53)38(3,4)9-2;1-8-9-22-41-34(48)31(46)28(23-26-16-17-26)42-33(47)30-29-27(38(29,5)6)24-45(30)35(49)32(39(7)18-12-10-13-19-39)43-36(50)44-40(20-14-11-15-21-40)25-53(51,52)37(2,3)4;1-9-11-18-27(30(45)33(47)40-23-10-2)41-32(46)29-28-26(37(28,6)7)24-44(29)34(48)31(38(8)19-14-12-15-20-38)42-35(49)43-39(21-16-13-17-22-39)25-52(50,51)36(3,4)5/h28-30,32-33,35H,10-27H2,1-9H3,(H,45,53)(H,46,52)(H2,47,48,55);27-29,31-32,34H,10-26H2,1-9H3,(H,44,52)(H,45,51)(H2,46,47,54);1,27-31,33H,9-26H2,2-7H3,(H,42,49)(H,43,48)(H2,44,45,51);1,26-30,32H,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,10,26-29,31H,2,11-25H2,3-8H3,(H,40,47)(H,41,46)(H2,42,43,49)/t29-,30?,32?,33-,35+;28-,29?,31?,32-,34+;28-,29?,30?,31-,33+;27-,28?,29?,30-,32+;26-,27?,28?,29-,31+/m00000/s1
InChIKeyMEUKQJIFEZAPFH-ABDPRNFASA-N
XLogP22.06
TPSA906.85 Ų
H-Bond Donors20
H-Bond Acceptors39
Rotatable Bonds76
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003956.41
LogP ≤ 522.06
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1039

Analyze tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(1R,2S,5S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclopentyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58815116
(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(propylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58751067
CID 160653869
CID 160653869
(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclopentyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 59423342
(1S,2S,6S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(propylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-(cyclopropylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-(cyclopropylmethylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 160738138
(1R,2S,5S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-2-[[1-(ethylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 70672252
(3S,3aS,6aS)-2-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide
CID 59677861
(2S)-3-[(2S)-2-[[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 11764397
(1R,2S)-N-[(2S)-1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-[(2S)-2-(1-methylcyclohexyl)-2-[[1-[[2-methyl-1-(oxan-2-yloxy)propan-2-yl]sulfonylmethyl]cyclohexyl]carbamoylamino]acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58814908
(1R,2S,5S)-N-[(2S)-1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-[(2S)-2-(1-methylcyclohexyl)-2-[[1-[[2-methyl-1-(oxan-2-yloxy)propan-2-yl]sulfonylmethyl]cyclohexyl]carbamoylamino]acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 70672491
3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 143358453
(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 11686266

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 159545935) is tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is C#CCCC(NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C.C#CCCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C.C#CCCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C.CC(C)(C)OC(=O)CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C.CCC(C)(C)S(=O)(=O)CC1(NC(=O)N[C@H](C(=O)N2C[C@H]3C([C@H]2C(=O)NC(CC2CC2)C(=O)C(=O)NCCC(=O)OC(C)(C)C)C3(C)C)C2(C)CCCCC2)CCCCC1.
What is the InChIKey of tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is MEUKQJIFEZAPFH-ABDPRNFASA-N. The full InChI is InChI=1S/C44H73N5O9S.C43H71N5O9S.C41H65N5O7S.C40H63N5O7S.C39H61N5O7S/c1-10-41(5,6)59(56,57)27-44(22-15-12-16-23-44)48-39(55)47-35(43(9)20-13-11-14-21-43)38(54)49-26-29-32(42(29,7)8)33(49)36(52)46-30(25-28-17-18-28)34(51)37(53)45-24-19-31(50)58-40(2,3)4;1-39(2,3)57-30(49)18-23-44-36(52)33(50)29(24-27-16-17-27)45-35(51)32-31-28(41(31,7)8)25-48(32)37(53)34(42(9)19-12-10-13-20-42)46-38(54)47-43(21-14-11-15-22-43)26-58(55,56)40(4,5)6;1-8-10-23-42-35(49)32(47)29(24-27-17-18-27)43-34(48)31-30-28(39(30,5)6)25-46(31)36(50)33(40(7)19-13-11-14-20-40)44-37(51)45-41(21-15-12-16-22-41)26-54(52,53)38(3,4)9-2;1-8-9-22-41-34(48)31(46)28(23-26-16-17-26)42-33(47)30-29-27(38(29,5)6)24-45(30)35(49)32(39(7)18-12-10-13-19-39)43-36(50)44-40(20-14-11-15-21-40)25-53(51,52)37(2,3)4;1-9-11-18-27(30(45)33(47)40-23-10-2)41-32(46)29-28-26(37(28,6)7)24-44(29)34(48)31(38(8)19-14-12-15-20-38)42-35(49)43-39(21-16-13-17-22-39)25-52(50,51)36(3,4)5/h28-30,32-33,35H,10-27H2,1-9H3,(H,45,53)(H,46,52)(H2,47,48,55);27-29,31-32,34H,10-26H2,1-9H3,(H,44,52)(H,45,51)(H2,46,47,54);1,27-31,33H,9-26H2,2-7H3,(H,42,49)(H,43,48)(H2,44,45,51);1,26-30,32H,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,10,26-29,31H,2,11-25H2,3-8H3,(H,40,47)(H,41,46)(H2,42,43,49)/t29-,30?,32?,33-,35+;28-,29?,31?,32-,34+;28-,29?,30?,31-,33+;27-,28?,29?,30-,32+;26-,27?,28?,29-,31+/m00000/s1.
What are the key properties of tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 3956.41 g/mol, XLogP of 22.06, 76 rotatable bonds, 20 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-[[(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]propanoate;tert-butyl 3-[[4-cyclopropyl-3-[[(2S,5S)-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,5S)-N-[4-(but-3-ynylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 159545935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).