(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate

C144H215Cl6N21O27 — CID 157053747

About (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate

(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate (PubChem CID 157053747) has the molecular formula C144H215Cl6N21O27 and a molecular weight of 2885.14 g/mol. Its IUPAC name is (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate.

Molecular Properties

• Compound Name: (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate
• PubChem CID: 157053747
• Molecular Formula: C144H215Cl6N21O27
• Molecular Weight: 2885.14 g/mol
• Exact Mass: 2880.42
• IUPAC Name: (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate
• SMILES: C=CCCC(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(=O)NCCC(=O)OC1(C)CCCC1.C=CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C2(Cl)Cl)C(=O)C(=O)NCCC(=O)OC(C)(C)C.C=CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C2(Cl)Cl)C(=O)C(=O)NCCC(=O)OC1(C)CCCC1.C=CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC13CC4CC(CC(C4)C1)C3)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1ccccc1
• InChI: InChI=1S/C43H60N6O6.C35H53Cl2N5O7.2C33H51Cl2N5O7/c1-4-5-16-32(37(51)39(53)45-24-33(50)44-23-26-12-8-6-9-13-26)46-38(52)36-34-31(42(34,2)3)25-49(36)40(54)35(30-14-10-7-11-15-30)47-41(55)48-43-20-27-17-28(21-43)19-29(18-27)22-43;1-6-7-15-23(28(44)30(46)38-19-16-24(43)49-34(5)17-11-12-18-34)39-29(45)27-25-22(35(25,36)37)20-42(27)31(47)26(21-13-9-8-10-14-21)40-32(48)41-33(2,3)4;1-9-10-13-20(24(42)27(44)36-17-14-21(41)47-32(8)15-11-12-16-32)37-26(43)23-22-19(33(22,34)35)18-40(23)28(45)25(30(2,3)4)38-29(46)39-31(5,6)7;1-8-9-15-21(26(42)28(44)36-17-16-22(41)47-32(5,6)7)37-27(43)25-23-20(33(23,34)35)18-40(25)29(45)24(19-13-11-10-12-14-19)38-30(46)39-31(2,3)4/h4,6,8-9,12-13,27-32,34-36H,1,5,7,10-11,14-25H2,2-3H3,(H,44,50)(H,45,53)(H,46,52)(H2,47,48,55);6,21-23,25-27H,1,7-20H2,2-5H3,(H,38,46)(H,39,45)(H2,40,41,48);9,19-20,22-23,25H,1,10-18H2,2-8H3,(H,36,44)(H,37,43)(H2,38,39,46);8,19-21,23-25H,1,9-18H2,2-7H3,(H,36,44)(H,37,43)(H2,38,39,46)/t27?,28?,29?,31-,32?,34-,35-,36-,43?;22-,23?,25-,26-,27-;19-,20?,22-,23-,25+;20-,21?,23-,24-,25-/m0000/s1
• InChIKey: AAMUMDRVJAXKBW-XMMFNDHVSA-N
• XLogP: 15.27
• TPSA: 654.84 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 27
• Rotatable Bonds: 55
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2885.14
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate?

The IUPAC name of (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate (CID 157053747) is (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate.

What is the SMILES notation for (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate?

The canonical SMILES for (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate is C=CCCC(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(=O)NCCC(=O)OC1(C)CCCC1.C=CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C2(Cl)Cl)C(=O)C(=O)NCCC(=O)OC(C)(C)C.C=CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C2(Cl)Cl)C(=O)C(=O)NCCC(=O)OC1(C)CCCC1.C=CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC13CC4CC(CC(C4)C1)C3)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1ccccc1.

What is the InChIKey of (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate?

The InChIKey is AAMUMDRVJAXKBW-XMMFNDHVSA-N. The full InChI is InChI=1S/C43H60N6O6.C35H53Cl2N5O7.2C33H51Cl2N5O7/c1-4-5-16-32(37(51)39(53)45-24-33(50)44-23-26-12-8-6-9-13-26)46-38(52)36-34-31(42(34,2)3)25-49(36)40(54)35(30-14-10-7-11-15-30)47-41(55)48-43-20-27-17-28(21-43)19-29(18-27)22-43;1-6-7-15-23(28(44)30(46)38-19-16-24(43)49-34(5)17-11-12-18-34)39-29(45)27-25-22(35(25,36)37)20-42(27)31(47)26(21-13-9-8-10-14-21)40-32(48)41-33(2,3)4;1-9-10-13-20(24(42)27(44)36-17-14-21(41)47-32(8)15-11-12-16-32)37-26(43)23-22-19(33(22,34)35)18-40(23)28(45)25(30(2,3)4)38-29(46)39-31(5,6)7;1-8-9-15-21(26(42)28(44)36-17-16-22(41)47-32(5,6)7)37-27(43)25-23-20(33(23,34)35)18-40(25)29(45)24(19-13-11-10-12-14-19)38-30(46)39-31(2,3)4/h4,6,8-9,12-13,27-32,34-36H,1,5,7,10-11,14-25H2,2-3H3,(H,44,50)(H,45,53)(H,46,52)(H2,47,48,55);6,21-23,25-27H,1,7-20H2,2-5H3,(H,38,46)(H,39,45)(H2,40,41,48);9,19-20,22-23,25H,1,10-18H2,2-8H3,(H,36,44)(H,37,43)(H2,38,39,46);8,19-21,23-25H,1,9-18H2,2-7H3,(H,36,44)(H,37,43)(H2,38,39,46)/t27?,28?,29?,31-,32?,34-,35-,36-,43?;22-,23?,25-,26-,27-;19-,20?,22-,23-,25+;20-,21?,23-,24-,25-/m0000/s1.

What are the key properties of (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate?

(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate has a molecular weight of 2885.14 g/mol, XLogP of 15.27, 55 rotatable bonds, 17 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;tert-butyl 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate;(1-methylcyclopentyl) 3-[[3-[[(1S,2S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxohept-6-enoyl]amino]propanoate is sourced from PubChem (CID 157053747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).