(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

C200H315N25O35S5 — CID 160738138

IUPAC(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
SMILESC#CCCC(NC(=O)[C@@H]1[C@@H]2C(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)NCCC.C#CCCC(NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NC1CC1.C#CCCC(NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC1CC1.C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)[C@@H]2c1ccccc1.C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C
InChIInChI=1S/C41H65N5O7S.C40H59N5O7S.C40H65N5O7S.C40H63N5O7S.C39H63N5O7S/c1-8-10-17-29(32(47)35(49)42-24-27-18-19-27)43-34(48)31-30-28(39(30,5)6)25-46(31)36(50)33(40(7)20-13-11-14-21-40)44-37(51)45-41(22-15-12-16-23-41)26-54(52,53)38(3,4)9-2;1-8-21-41-35(48)32(46)28(22-25-17-18-25)42-34(47)31-30-27(29(30)26-15-11-9-12-16-26)23-45(31)36(49)33(38(2,3)4)43-37(50)44-40(19-13-10-14-20-40)24-53(51,52)39(5,6)7;1-8-22-41-34(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(3,4)9-2;1-8-10-17-28(31(46)34(48)41-26-18-19-26)42-33(47)30-29-27(38(29,5)6)24-45(30)35(49)32(39(7)20-13-11-14-21-39)43-36(50)44-40(22-15-12-16-23-40)25-53(51,52)37(3,4)9-2;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/h1,27-31,33H,9-26H2,2-7H3,(H,42,49)(H,43,48)(H2,44,45,51);8-9,11-12,15-16,25,27-31,33H,1,10,13-14,17-24H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);8,26-30,32H,1,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,26-30,32H,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,26-29,31H,10-25H2,2-8H3,(H,40,47)(H,41,46)(H2,42,43,49)/t28?,29?,30-,31-,33+;27?,28?,29-,30+,31-,33+;2*27?,28?,29-,30-,32+;26?,27?,28-,29-,31+/m00000/s1
InChIKeyRVFKDQHZMBAPNX-RVHGKZTCSA-N
MW3790.19 g/mol
LogP21.17
Rot. Bonds75

About (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

(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 (PubChem CID 160738138) has the molecular formula C200H315N25O35S5 and a molecular weight of 3790.19 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160738138
Molecular FormulaC200H315N25O35S5
Molecular Weight3790.19 g/mol
Exact Mass3787.22
IUPAC Name(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
SMILESC#CCCC(NC(=O)[C@@H]1[C@@H]2C(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)NCCC.C#CCCC(NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NC1CC1.C#CCCC(NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC1CC1.C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)[C@@H]2c1ccccc1.C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C
InChIInChI=1S/C41H65N5O7S.C40H59N5O7S.C40H65N5O7S.C40H63N5O7S.C39H63N5O7S/c1-8-10-17-29(32(47)35(49)42-24-27-18-19-27)43-34(48)31-30-28(39(30,5)6)25-46(31)36(50)33(40(7)20-13-11-14-21-40)44-37(51)45-41(22-15-12-16-23-41)26-54(52,53)38(3,4)9-2;1-8-21-41-35(48)32(46)28(22-25-17-18-25)42-34(47)31-30-27(29(30)26-15-11-9-12-16-26)23-45(31)36(49)33(38(2,3)4)43-37(50)44-40(19-13-10-14-20-40)24-53(51,52)39(5,6)7;1-8-22-41-34(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(3,4)9-2;1-8-10-17-28(31(46)34(48)41-26-18-19-26)42-33(47)30-29-27(38(29,5)6)24-45(30)35(49)32(39(7)20-13-11-14-21-39)43-36(50)44-40(22-15-12-16-23-40)25-53(51,52)37(3,4)9-2;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/h1,27-31,33H,9-26H2,2-7H3,(H,42,49)(H,43,48)(H2,44,45,51);8-9,11-12,15-16,25,27-31,33H,1,10,13-14,17-24H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);8,26-30,32H,1,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,26-30,32H,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,26-29,31H,10-25H2,2-8H3,(H,40,47)(H,41,46)(H2,42,43,49)/t28?,29?,30-,31-,33+;27?,28?,29-,30+,31-,33+;2*27?,28?,29-,30-,32+;26?,27?,28-,29-,31+/m00000/s1
InChIKeyRVFKDQHZMBAPNX-RVHGKZTCSA-N
XLogP21.17
TPSA854.25 Ų
H-Bond Donors20
H-Bond Acceptors35
Rotatable Bonds75
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003790.19
LogP ≤ 521.17
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1035

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S)-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-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-ynylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-cyclopropyl-4-(cyclopropylamino)-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;(1R,2S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-ynylamino)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
CID 161248274
(1S,2S,5R,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,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-N-[1-[(2-methylcyclopropyl)amino]-1,2-dioxohept-6-yn-3-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-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,5S)-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;(1R,2S,5S)-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-3-[(2S)-2-[[1-(ethylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 161044000
(3aR,4S)-5-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-cyclohexylacetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxamide;(1S,2S)-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-[(3S)-7,7-difluoro-1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclopentyl)acetyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclopentyl)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;(1R,2S)-N-[1-cyclopropyl-4-(cyclopropylamino)-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 158537768
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
(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
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
(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)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1-(cyclopropylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58766537
(1R,2S,5S)-3-[2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-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 66798836
(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
(2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1-(cyclopropylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 59423337

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C#CCCC(NC(=O)[C@@H]1[C@@H]2C(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)NCCC.C#CCCC(NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NC1CC1.C#CCCC(NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC1CC1.C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)[C@@H]2c1ccccc1.C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)CC)CCCCC1)C1(C)CCCCC1)C2(C)C.
What is the InChIKey of (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?
The InChIKey is RVFKDQHZMBAPNX-RVHGKZTCSA-N. The full InChI is InChI=1S/C41H65N5O7S.C40H59N5O7S.C40H65N5O7S.C40H63N5O7S.C39H63N5O7S/c1-8-10-17-29(32(47)35(49)42-24-27-18-19-27)43-34(48)31-30-28(39(30,5)6)25-46(31)36(50)33(40(7)20-13-11-14-21-40)44-37(51)45-41(22-15-12-16-23-41)26-54(52,53)38(3,4)9-2;1-8-21-41-35(48)32(46)28(22-25-17-18-25)42-34(47)31-30-27(29(30)26-15-11-9-12-16-26)23-45(31)36(49)33(38(2,3)4)43-37(50)44-40(19-13-10-14-20-40)24-53(51,52)39(5,6)7;1-8-22-41-34(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(3,4)9-2;1-8-10-17-28(31(46)34(48)41-26-18-19-26)42-33(47)30-29-27(38(29,5)6)24-45(30)35(49)32(39(7)20-13-11-14-21-39)43-36(50)44-40(22-15-12-16-23-40)25-53(51,52)37(3,4)9-2;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/h1,27-31,33H,9-26H2,2-7H3,(H,42,49)(H,43,48)(H2,44,45,51);8-9,11-12,15-16,25,27-31,33H,1,10,13-14,17-24H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);8,26-30,32H,1,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,26-30,32H,9-25H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50);1,26-29,31H,10-25H2,2-8H3,(H,40,47)(H,41,46)(H2,42,43,49)/t28?,29?,30-,31-,33+;27?,28?,29-,30+,31-,33+;2*27?,28?,29-,30-,32+;26?,27?,28-,29-,31+/m00000/s1.
What are the key properties of (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?
(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 has a molecular weight of 3790.19 g/mol, XLogP of 21.17, 75 rotatable bonds, 20 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160738138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).