(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate

C232H336Cl8N36O44 — CID 162185199

IUPAC(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
SMILESCC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(Cl)Cl)C(C)(C)C.CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1.CC1(C)[C@@H]2[C@@H](C(=O)NC(CC3CC3)C(=O)C(N)=O)N(C(=O)[C@@H](NC(=O)NC3CCCCC3)C3Cc4ccccc4C3)C[C@@H]21.CC1CCCCC1OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1.CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(Cl)Cl)C(=O)C(N)=O.C[C@H]1CCC[C@@H]1OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1.NC(=O)C(=O)[C@H](CC1CC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1CCCCC1)C1Cc3ccccc3C1)C2(Cl)Cl.NC(=O)C(=O)[C@H](CC1CCC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC1CCCCC1)C1CCCCC1)C2(Cl)Cl
InChIInChI=1S/C33H45N5O5.C31H39Cl2N5O5.C31H42N4O6.C31H48N4O6.C30H46N4O6.C29H42Cl2N4O6.C24H37Cl2N5O5.C23H37Cl2N5O5/c1-33(2)23-17-38(27(25(23)33)30(41)36-24(14-18-12-13-18)28(39)29(34)40)31(42)26(21-15-19-8-6-7-9-20(19)16-21)37-32(43)35-22-10-4-3-5-11-22;32-31(33)21-15-38(25(23(21)31)28(41)36-22(12-16-10-11-16)26(39)27(34)40)29(42)24(19-13-17-6-4-5-7-18(17)14-19)37-30(43)35-20-8-2-1-3-9-20;1-30(2,3)41-29(40)34-23(19-13-17-8-6-7-9-18(17)14-19)28(39)35-15-20-22(31(20,4)5)24(35)27(38)33-21(12-16-10-11-16)25(36)26(32)37;1-17-9-7-8-12-22(17)41-30(40)34-24(19-10-5-4-6-11-19)29(39)35-16-20-23(31(20,2)3)25(35)28(38)33-21(15-18-13-14-18)26(36)27(32)37;1-16-8-7-11-21(16)40-29(39)33-23(18-9-5-4-6-10-18)28(38)34-15-19-22(30(19,2)3)24(34)27(37)32-20(14-17-12-13-17)25(35)26(31)36;30-29(31)19-15-35(23(21(19)29)26(38)33-20(24(36)25(32)37)14-16-8-7-9-16)27(39)22(17-10-3-1-4-11-17)34-28(40)41-18-12-5-2-6-13-18;1-22(2,3)17(29-21(36)30-23(4,5)6)20(35)31-10-12-14(24(12,25)26)15(31)19(34)28-13(9-11-7-8-11)16(32)18(27)33;1-8-9-12(15(31)17(26)32)27-18(33)14-13-11(23(13,24)25)10-30(14)19(34)16(21(2,3)4)28-20(35)29-22(5,6)7/h6-9,18,21-27H,3-5,10-17H2,1-2H3,(H2,34,40)(H,36,41)(H2,35,37,43);4-7,16,19-25H,1-3,8-15H2,(H2,34,40)(H,36,41)(H2,35,37,43);6-9,16,19-24H,10-15H2,1-5H3,(H2,32,37)(H,33,38)(H,34,40);17-25H,4-16H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40);16-24H,4-15H2,1-3H3,(H2,31,36)(H,32,37)(H,33,39);16-23H,1-15H2,(H2,32,37)(H,33,38)(H,34,40);11-15,17H,7-10H2,1-6H3,(H2,27,33)(H,28,34)(H2,29,30,36);11-14,16H,8-10H2,1-7H3,(H2,26,32)(H,27,33)(H2,28,29,35)/t23-,24?,25-,26-,27-;21-,22-,23-,24-,25-;20-,21?,22-,23-,24-;17?,20-,21?,22?,23-,24-,25-;16-,19-,20-,21-,22-,23-,24-;19-,20-,21-,22-,23-;12-,13-,14-,15-,17+;11-,12-,13-,14-,16+/m00000000/s1
InChIKeyZPOIWOPJCDSQQC-UVDQQXBCSA-N
MW4617.07 g/mol
LogP18.74
Rot. Bonds75

About (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate

(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate (PubChem CID 162185199) has the molecular formula C232H336Cl8N36O44 and a molecular weight of 4617.07 g/mol. Its IUPAC name is (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate.

Molecular Properties

Compound Name(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
PubChem CID162185199
Molecular FormulaC232H336Cl8N36O44
Molecular Weight4617.07 g/mol
Exact Mass4610.27
IUPAC Name(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
SMILESCC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(Cl)Cl)C(C)(C)C.CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1.CC1(C)[C@@H]2[C@@H](C(=O)NC(CC3CC3)C(=O)C(N)=O)N(C(=O)[C@@H](NC(=O)NC3CCCCC3)C3Cc4ccccc4C3)C[C@@H]21.CC1CCCCC1OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1.CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(Cl)Cl)C(=O)C(N)=O.C[C@H]1CCC[C@@H]1OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1.NC(=O)C(=O)[C@H](CC1CC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1CCCCC1)C1Cc3ccccc3C1)C2(Cl)Cl.NC(=O)C(=O)[C@H](CC1CCC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC1CCCCC1)C1CCCCC1)C2(Cl)Cl
InChIInChI=1S/C33H45N5O5.C31H39Cl2N5O5.C31H42N4O6.C31H48N4O6.C30H46N4O6.C29H42Cl2N4O6.C24H37Cl2N5O5.C23H37Cl2N5O5/c1-33(2)23-17-38(27(25(23)33)30(41)36-24(14-18-12-13-18)28(39)29(34)40)31(42)26(21-15-19-8-6-7-9-20(19)16-21)37-32(43)35-22-10-4-3-5-11-22;32-31(33)21-15-38(25(23(21)31)28(41)36-22(12-16-10-11-16)26(39)27(34)40)29(42)24(19-13-17-6-4-5-7-18(17)14-19)37-30(43)35-20-8-2-1-3-9-20;1-30(2,3)41-29(40)34-23(19-13-17-8-6-7-9-18(17)14-19)28(39)35-15-20-22(31(20,4)5)24(35)27(38)33-21(12-16-10-11-16)25(36)26(32)37;1-17-9-7-8-12-22(17)41-30(40)34-24(19-10-5-4-6-11-19)29(39)35-16-20-23(31(20,2)3)25(35)28(38)33-21(15-18-13-14-18)26(36)27(32)37;1-16-8-7-11-21(16)40-29(39)33-23(18-9-5-4-6-10-18)28(38)34-15-19-22(30(19,2)3)24(34)27(37)32-20(14-17-12-13-17)25(35)26(31)36;30-29(31)19-15-35(23(21(19)29)26(38)33-20(24(36)25(32)37)14-16-8-7-9-16)27(39)22(17-10-3-1-4-11-17)34-28(40)41-18-12-5-2-6-13-18;1-22(2,3)17(29-21(36)30-23(4,5)6)20(35)31-10-12-14(24(12,25)26)15(31)19(34)28-13(9-11-7-8-11)16(32)18(27)33;1-8-9-12(15(31)17(26)32)27-18(33)14-13-11(23(13,24)25)10-30(14)19(34)16(21(2,3)4)28-20(35)29-22(5,6)7/h6-9,18,21-27H,3-5,10-17H2,1-2H3,(H2,34,40)(H,36,41)(H2,35,37,43);4-7,16,19-25H,1-3,8-15H2,(H2,34,40)(H,36,41)(H2,35,37,43);6-9,16,19-24H,10-15H2,1-5H3,(H2,32,37)(H,33,38)(H,34,40);17-25H,4-16H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40);16-24H,4-15H2,1-3H3,(H2,31,36)(H,32,37)(H,33,39);16-23H,1-15H2,(H2,32,37)(H,33,38)(H,34,40);11-15,17H,7-10H2,1-6H3,(H2,27,33)(H,28,34)(H2,29,30,36);11-14,16H,8-10H2,1-7H3,(H2,26,32)(H,27,33)(H2,28,29,35)/t23-,24?,25-,26-,27-;21-,22-,23-,24-,25-;20-,21?,22-,23-,24-;17?,20-,21?,22?,23-,24-,25-;16-,19-,20-,21-,22-,23-,24-;19-,20-,21-,22-,23-;12-,13-,14-,15-,17+;11-,12-,13-,14-,16+/m00000000/s1
InChIKeyZPOIWOPJCDSQQC-UVDQQXBCSA-N
XLogP18.74
TPSA1194.40 Ų
H-Bond Donors28
H-Bond Acceptors44
Rotatable Bonds75
Heavy Atoms320
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004617.07
LogP ≤ 518.74
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1044

Analyze (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate?
The IUPAC name of (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate (CID 162185199) is (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate.
What is the SMILES notation for (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate?
The canonical SMILES for (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate is CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(Cl)Cl)C(C)(C)C.CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1.CC1(C)[C@@H]2[C@@H](C(=O)NC(CC3CC3)C(=O)C(N)=O)N(C(=O)[C@@H](NC(=O)NC3CCCCC3)C3Cc4ccccc4C3)C[C@@H]21.CC1CCCCC1OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1.CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(Cl)Cl)C(=O)C(N)=O.C[C@H]1CCC[C@@H]1OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1.NC(=O)C(=O)[C@H](CC1CC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1CCCCC1)C1Cc3ccccc3C1)C2(Cl)Cl.NC(=O)C(=O)[C@H](CC1CCC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC1CCCCC1)C1CCCCC1)C2(Cl)Cl.
What is the InChIKey of (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate?
The InChIKey is ZPOIWOPJCDSQQC-UVDQQXBCSA-N. The full InChI is InChI=1S/C33H45N5O5.C31H39Cl2N5O5.C31H42N4O6.C31H48N4O6.C30H46N4O6.C29H42Cl2N4O6.C24H37Cl2N5O5.C23H37Cl2N5O5/c1-33(2)23-17-38(27(25(23)33)30(41)36-24(14-18-12-13-18)28(39)29(34)40)31(42)26(21-15-19-8-6-7-9-20(19)16-21)37-32(43)35-22-10-4-3-5-11-22;32-31(33)21-15-38(25(23(21)31)28(41)36-22(12-16-10-11-16)26(39)27(34)40)29(42)24(19-13-17-6-4-5-7-18(17)14-19)37-30(43)35-20-8-2-1-3-9-20;1-30(2,3)41-29(40)34-23(19-13-17-8-6-7-9-18(17)14-19)28(39)35-15-20-22(31(20,4)5)24(35)27(38)33-21(12-16-10-11-16)25(36)26(32)37;1-17-9-7-8-12-22(17)41-30(40)34-24(19-10-5-4-6-11-19)29(39)35-16-20-23(31(20,2)3)25(35)28(38)33-21(15-18-13-14-18)26(36)27(32)37;1-16-8-7-11-21(16)40-29(39)33-23(18-9-5-4-6-10-18)28(38)34-15-19-22(30(19,2)3)24(34)27(37)32-20(14-17-12-13-17)25(35)26(31)36;30-29(31)19-15-35(23(21(19)29)26(38)33-20(24(36)25(32)37)14-16-8-7-9-16)27(39)22(17-10-3-1-4-11-17)34-28(40)41-18-12-5-2-6-13-18;1-22(2,3)17(29-21(36)30-23(4,5)6)20(35)31-10-12-14(24(12,25)26)15(31)19(34)28-13(9-11-7-8-11)16(32)18(27)33;1-8-9-12(15(31)17(26)32)27-18(33)14-13-11(23(13,24)25)10-30(14)19(34)16(21(2,3)4)28-20(35)29-22(5,6)7/h6-9,18,21-27H,3-5,10-17H2,1-2H3,(H2,34,40)(H,36,41)(H2,35,37,43);4-7,16,19-25H,1-3,8-15H2,(H2,34,40)(H,36,41)(H2,35,37,43);6-9,16,19-24H,10-15H2,1-5H3,(H2,32,37)(H,33,38)(H,34,40);17-25H,4-16H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40);16-24H,4-15H2,1-3H3,(H2,31,36)(H,32,37)(H,33,39);16-23H,1-15H2,(H2,32,37)(H,33,38)(H,34,40);11-15,17H,7-10H2,1-6H3,(H2,27,33)(H,28,34)(H2,29,30,36);11-14,16H,8-10H2,1-7H3,(H2,26,32)(H,27,33)(H2,28,29,35)/t23-,24?,25-,26-,27-;21-,22-,23-,24-,25-;20-,21?,22-,23-,24-;17?,20-,21?,22?,23-,24-,25-;16-,19-,20-,21-,22-,23-,24-;19-,20-,21-,22-,23-;12-,13-,14-,15-,17+;11-,12-,13-,14-,16+/m00000000/s1.
What are the key properties of (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate?
(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate has a molecular weight of 4617.07 g/mol, XLogP of 18.74, 75 rotatable bonds, 28 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-6,6-dichloro-3-[(2S)-2-(cyclohexylcarbamoylamino)-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,2S,5R)-N-[(3S)-1-amino-1,2-dioxohexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;cyclohexyl N-[(1S)-2-[(1S,2S,5R)-2-[[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(2-methylcyclohexyl) N-[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(1S,2S)-2-methylcyclopentyl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate is sourced from PubChem (CID 162185199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).