1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C146H213N21O16S6 — CID 161417377

About 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 161417377) has the molecular formula C146H213N21O16S6 and a molecular weight of 2710.84 g/mol. Its IUPAC name is 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

• Compound Name: 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
• PubChem CID: 161417377
• Molecular Formula: C146H213N21O16S6
• Molecular Weight: 2710.84 g/mol
• Exact Mass: 2708.48
• IUPAC Name: 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
• SMILES: CCC(=S)N1C[C@@H]2C[C@@H](N(C(=S)NC)C3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)n3ccnc3)C[C@@]2(C(=O)N2CCc3ccc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=S)CCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(N)=S)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1N(C(=S)NCC(C)C)[C@@H]1C[C@H]2CN(C(=S)CCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1
• InChI: InChI=1S/C34H53N5O3S2.C30H45N3O3S.C29H38N4O4.C28H41N5O3S2.C25H36N4O3S/c1-22(2)7-8-31(43)38-19-26-14-27(39(33(44)36-16-23(3)4)29-10-12-42-20-30(29)41-6)15-34(26,21-38)32(40)37-11-9-28-25(18-37)13-24(5)17-35-28;1-20(2)5-6-28(37)33-17-25-13-22(12-23-8-10-36-18-27(23)35-4)14-30(25,19-33)29(34)32-9-7-26-24(16-32)11-21(3)15-31-26;1-20-3-4-22-5-8-31(15-24(22)11-20)27(34)29-14-21(12-23-6-10-37-17-26(23)36-2)13-25(29)16-33(18-29)28(35)32-9-7-30-19-32;1-5-25(37)32-15-20-11-21(33(27(38)29-3)23-7-9-36-16-24(23)35-4)12-28(20,17-32)26(34)31-8-6-22-19(14-31)10-18(2)13-30-22;1-16-7-19-12-28(5-3-21(19)27-11-16)23(30)25-10-17(8-18-4-6-32-14-22(18)31-2)9-20(25)13-29(15-25)24(26)33/h13,17,22-23,26-27,29-30H,7-12,14-16,18-21H2,1-6H3,(H,36,44);11,15,20,22-23,25,27H,5-10,12-14,16-19H2,1-4H3;3-4,7,9,11,19,21,23,25-26H,5-6,8,10,12-18H2,1-2H3;10,13,20-21,23-24H,5-9,11-12,14-17H2,1-4H3,(H,29,38);7,11,17-18,20,22H,3-6,8-10,12-15H2,1-2H3,(H2,26,33)/t26-,27+,29?,30?,34-;22-,23?,25+,27?,30+;21-,23?,25+,26?,29+;20-,21+,23?,24?,28-;17-,18?,20+,22?,25+/m01101/s1
• InChIKey: VWGMPTFUONOIRV-QEAFLSSDSA-N
• XLogP: 18.07
• TPSA: 353.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2710.84
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?

The IUPAC name of 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 161417377) is 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

What is the SMILES notation for 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?

The canonical SMILES for 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is CCC(=S)N1C[C@@H]2C[C@@H](N(C(=S)NC)C3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)n3ccnc3)C[C@@]2(C(=O)N2CCc3ccc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=S)CCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(N)=S)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1N(C(=S)NCC(C)C)[C@@H]1C[C@H]2CN(C(=S)CCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.

What is the InChIKey of 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?

The InChIKey is VWGMPTFUONOIRV-QEAFLSSDSA-N. The full InChI is InChI=1S/C34H53N5O3S2.C30H45N3O3S.C29H38N4O4.C28H41N5O3S2.C25H36N4O3S/c1-22(2)7-8-31(43)38-19-26-14-27(39(33(44)36-16-23(3)4)29-10-12-42-20-30(29)41-6)15-34(26,21-38)32(40)37-11-9-28-25(18-37)13-24(5)17-35-28;1-20(2)5-6-28(37)33-17-25-13-22(12-23-8-10-36-18-27(23)35-4)14-30(25,19-33)29(34)32-9-7-26-24(16-32)11-21(3)15-31-26;1-20-3-4-22-5-8-31(15-24(22)11-20)27(34)29-14-21(12-23-6-10-37-17-26(23)36-2)13-25(29)16-33(18-29)28(35)32-9-7-30-19-32;1-5-25(37)32-15-20-11-21(33(27(38)29-3)23-7-9-36-16-24(23)35-4)12-28(20,17-32)26(34)31-8-6-22-19(14-31)10-18(2)13-30-22;1-16-7-19-12-28(5-3-21(19)27-11-16)23(30)25-10-17(8-18-4-6-32-14-22(18)31-2)9-20(25)13-29(15-25)24(26)33/h13,17,22-23,26-27,29-30H,7-12,14-16,18-21H2,1-6H3,(H,36,44);11,15,20,22-23,25,27H,5-10,12-14,16-19H2,1-4H3;3-4,7,9,11,19,21,23,25-26H,5-6,8,10,12-18H2,1-2H3;10,13,20-21,23-24H,5-9,11-12,14-17H2,1-4H3,(H,29,38);7,11,17-18,20,22H,3-6,8-10,12-15H2,1-2H3,(H2,26,33)/t26-,27+,29?,30?,34-;22-,23?,25+,27?,30+;21-,23?,25+,26?,29+;20-,21+,23?,24?,28-;17-,18?,20+,22?,25+/m01101/s1.

What are the key properties of 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?

1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 2710.84 g/mol, XLogP of 18.07, 29 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-(2-methylpropyl)thiourea;1-[(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-propanethioyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-(3-methoxyoxan-4-yl)-3-methylthiourea;[(3aR,5S,6aR)-2-(imidazole-1-carbonyl)-5-[(3-methoxyoxan-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbothioamide;[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-(4-methylpentanethioyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 161417377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).