tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C205H326N28O42S4 — CID 158569122

About tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 158569122) has the molecular formula C205H326N28O42S4 and a molecular weight of 3983.28 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• PubChem CID: 158569122
• Molecular Formula: C205H326N28O42S4
• Molecular Weight: 3983.28 g/mol
• Exact Mass: 3980.31
• IUPAC Name: tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• SMILES: CC(C)(C)[C@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CCC1CC1)C(=O)C(=O)NC1CC1)C2(C)C.CC(C)C[C@@H](C(=O)NC(CC1CC1)C(=O)C(N)=O)N1CCCCCC[C@H](NC(=O)OC(C)(C)C)C1=O.CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1.CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1.CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1([C@H]3CCCS3(=O)=O)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NC1CC1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)ccnc2c1
• InChI: InChI=1S/C37H59N5O7S.C37H61N5O7S.C36H61N5O7S.C35H59N5O7S.C34H42N4O8.C26H44N4O6/c1-5-13-25(29(43)32(45)38-23-15-16-23)39-31(44)28-27-24(35(27,2)3)22-42(28)33(46)30(36(4)17-8-6-9-18-36)40-34(47)41-37(19-10-7-11-20-37)26-14-12-21-50(26,48)49;1-34(2,3)29(40-33(47)41-37(18-10-9-11-19-37)21-50(48,49)35(4,5)6)32(46)42-20-24-26(36(24,7)8)27(42)30(44)39-25(17-14-22-12-13-22)28(43)31(45)38-23-15-16-23;1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7;1-9-10-14-24(27(41)30(43)36-22-15-16-22)37-29(42)26-25-23(34(25,7)8)19-40(26)31(44)28(33(4,5)6)38-32(45)39-35(17-12-11-13-18-35)20-48(46,47)21(2)3;1-44-23-13-14-25-27(17-23)35-16-15-29(25)45-24-18-28-30(39)37-34(32(41)42)19-21(34)9-5-3-2-4-6-12-26(31(40)38(28)20-24)36-33(43)46-22-10-7-8-11-22;1-16(2)14-20(23(33)28-19(15-17-11-12-17)21(31)22(27)32)30-13-9-7-6-8-10-18(24(30)34)29-25(35)36-26(3,4)5/h23-28,30H,5-22H2,1-4H3,(H,38,45)(H,39,44)(H2,40,41,47);22-27,29H,9-21H2,1-8H3,(H,38,45)(H,39,44)(H2,40,41,47);22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46);21-26,28H,9-20H2,1-8H3,(H,36,43)(H,37,42)(H2,38,39,45);5,9,13-17,21-22,24,26,28H,2-4,6-8,10-12,18-20H2,1H3,(H,36,43)(H,37,39)(H,41,42);16-20H,6-15H2,1-5H3,(H2,27,32)(H,28,33)(H,29,35)/b;;;;9-5-;/t24-,25-,26+,27-,28-,30+;24-,25-,26-,27-,29+;2*23-,24-,25-,26-,28+;21?,24-,26+,28+,34-;18-,19?,20-/m000010/s1
• InChIKey: HRWAVEUKKMWDHT-COEHRFFSSA-N
• XLogP: 20.53
• TPSA: 987.69 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 42
• Rotatable Bonds: 68
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3983.28
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The IUPAC name of tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 158569122) is tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

What is the SMILES notation for tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The canonical SMILES for tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC(C)(C)[C@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CCC1CC1)C(=O)C(=O)NC1CC1)C2(C)C.CC(C)C[C@@H](C(=O)NC(CC1CC1)C(=O)C(N)=O)N1CCCCCC[C@H](NC(=O)OC(C)(C)C)C1=O.CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1.CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1.CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1([C@H]3CCCS3(=O)=O)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NC1CC1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)ccnc2c1.

What is the InChIKey of tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The InChIKey is HRWAVEUKKMWDHT-COEHRFFSSA-N. The full InChI is InChI=1S/C37H59N5O7S.C37H61N5O7S.C36H61N5O7S.C35H59N5O7S.C34H42N4O8.C26H44N4O6/c1-5-13-25(29(43)32(45)38-23-15-16-23)39-31(44)28-27-24(35(27,2)3)22-42(28)33(46)30(36(4)17-8-6-9-18-36)40-34(47)41-37(19-10-7-11-20-37)26-14-12-21-50(26,48)49;1-34(2,3)29(40-33(47)41-37(18-10-9-11-19-37)21-50(48,49)35(4,5)6)32(46)42-20-24-26(36(24,7)8)27(42)30(44)39-25(17-14-22-12-13-22)28(43)31(45)38-23-15-16-23;1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7;1-9-10-14-24(27(41)30(43)36-22-15-16-22)37-29(42)26-25-23(34(25,7)8)19-40(26)31(44)28(33(4,5)6)38-32(45)39-35(17-12-11-13-18-35)20-48(46,47)21(2)3;1-44-23-13-14-25-27(17-23)35-16-15-29(25)45-24-18-28-30(39)37-34(32(41)42)19-21(34)9-5-3-2-4-6-12-26(31(40)38(28)20-24)36-33(43)46-22-10-7-8-11-22;1-16(2)14-20(23(33)28-19(15-17-11-12-17)21(31)22(27)32)30-13-9-7-6-8-10-18(24(30)34)29-25(35)36-26(3,4)5/h23-28,30H,5-22H2,1-4H3,(H,38,45)(H,39,44)(H2,40,41,47);22-27,29H,9-21H2,1-8H3,(H,38,45)(H,39,44)(H2,40,41,47);22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46);21-26,28H,9-20H2,1-8H3,(H,36,43)(H,37,42)(H2,38,39,45);5,9,13-17,21-22,24,26,28H,2-4,6-8,10-12,18-20H2,1H3,(H,36,43)(H,37,39)(H,41,42);16-20H,6-15H2,1-5H3,(H2,27,32)(H,28,33)(H,29,35)/b;;;;9-5-;/t24-,25-,26+,27-,28-,30+;24-,25-,26-,27-,29+;2*23-,24-,25-,26-,28+;21?,24-,26+,28+,34-;18-,19?,20-/m000010/s1.

What are the key properties of tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 3983.28 g/mol, XLogP of 20.53, 68 rotatable bonds, 22 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(7-methoxyquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(propan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 158569122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).