N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide

C167H185N51O32 — CID 160778298

About N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide

N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide (PubChem CID 160778298) has the molecular formula C167H185N51O32 and a molecular weight of 3418.64 g/mol. Its IUPAC name is N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide.

Molecular Properties

• Compound Name: N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide
• PubChem CID: 160778298
• Molecular Formula: C167H185N51O32
• Molecular Weight: 3418.64 g/mol
• Exact Mass: 3416.44
• IUPAC Name: N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide
• SMILES: Cc1ccc2c(C(=O)NC3CN4C(N)=N[C@@H](CN5C(=O)CCC5=O)C5N=C(N)NC54C3(O)O)cccc2c1.Cc1ccc2c(C(=O)NC3CN4C(N)=N[C@@H](CN5C(=O)CN(c6ccccc6)C5=O)C5N=C(N)NC54C3(O)O)cccc2c1.Cc1cccc2cccc(C(=O)NC3CN4C(N)=N[C@@H](CN5C(=O)CCC5=O)C5N=C(N)NC54C3(O)O)c12.Cc1cccc2cccc(C(=O)NC3CN4C(N)=N[C@@H](CN5C(=O)CN(c6ccccc6)C5=O)C5N=C(N)NC54C3(O)O)c12.NC1=NC2[C@H](CN3C(=O)CCC3=O)N=C(N)N3CC(NC(=O)c4cccc5c4OCCC54CCC4)C(O)(O)C23N1.NC1=NC2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(N)N3CC(NC(=O)c4cccc5c4OCCC54CCC4)C(O)(O)C23N1
• InChI: InChI=1S/C31H35N9O6.2C30H31N9O5.C26H32N8O6.2C25H28N8O5/c32-26-36-24-20(14-39-22(41)16-38(28(39)43)17-6-2-1-3-7-17)34-27(33)40-15-21(31(44,45)30(24,40)37-26)35-25(42)18-8-4-9-19-23(18)46-13-12-29(19)10-5-11-29;1-16-7-5-8-17-9-6-12-19(23(16)17)25(41)34-21-14-39-27(32)33-20(24-29(39,30(21,43)44)36-26(31)35-24)13-38-22(40)15-37(28(38)42)18-10-3-2-4-11-18;1-16-10-11-19-17(12-16)6-5-9-20(19)25(41)34-22-14-39-27(32)33-21(24-29(39,30(22,43)44)36-26(31)35-24)13-38-23(40)15-37(28(38)42)18-7-3-2-4-8-18;27-22-31-20-15(11-33-17(35)5-6-18(33)36)29-23(28)34-12-16(26(38,39)25(20,34)32-22)30-21(37)13-3-1-4-14-19(13)40-10-9-24(14)7-2-8-24;1-12-4-2-5-13-6-3-7-14(19(12)13)21(36)29-16-11-33-23(27)28-15(10-32-17(34)8-9-18(32)35)20-24(33,25(16,37)38)31-22(26)30-20;1-12-5-6-14-13(9-12)3-2-4-15(14)21(36)29-17-11-33-23(27)28-16(10-32-18(34)7-8-19(32)35)20-24(33,25(17,37)38)31-22(26)30-20/h1-4,6-9,20-21,24,44-45H,5,10-16H2,(H2,33,34)(H,35,42)(H3,32,36,37);2-12,20-21,24,43-44H,13-15H2,1H3,(H2,32,33)(H,34,41)(H3,31,35,36);2-12,21-22,24,43-44H,13-15H2,1H3,(H2,32,33)(H,34,41)(H3,31,35,36);1,3-4,15-16,20,38-39H,2,5-12H2,(H2,28,29)(H,30,37)(H3,27,31,32);2-7,15-16,20,37-38H,8-11H2,1H3,(H2,27,28)(H,29,36)(H3,26,30,31);2-6,9,16-17,20,37-38H,7-8,10-11H2,1H3,(H2,27,28)(H,29,36)(H3,26,30,31)/t20-,21?,24?,30?;20-,21?,24?,29?;21-,22?,24?,29?;15-,16?,20?,25?;15-,16?,20?,24?;16-,17?,20?,24?/m000000/s1
• InChIKey: SAFXWQLBCYDCEK-FOZXECRUSA-N
• XLogP: -8.12
• TPSA: 1222.00 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 68
• Rotatable Bonds: 27
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3418.64
LogP ≤ 5	-8.12
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	68

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide?

The IUPAC name of N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide (CID 160778298) is N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide.

What is the SMILES notation for N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide?

The canonical SMILES for N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide is Cc1ccc2c(C(=O)NC3CN4C(N)=N[C@@H](CN5C(=O)CCC5=O)C5N=C(N)NC54C3(O)O)cccc2c1.Cc1ccc2c(C(=O)NC3CN4C(N)=N[C@@H](CN5C(=O)CN(c6ccccc6)C5=O)C5N=C(N)NC54C3(O)O)cccc2c1.Cc1cccc2cccc(C(=O)NC3CN4C(N)=N[C@@H](CN5C(=O)CCC5=O)C5N=C(N)NC54C3(O)O)c12.Cc1cccc2cccc(C(=O)NC3CN4C(N)=N[C@@H](CN5C(=O)CN(c6ccccc6)C5=O)C5N=C(N)NC54C3(O)O)c12.NC1=NC2[C@H](CN3C(=O)CCC3=O)N=C(N)N3CC(NC(=O)c4cccc5c4OCCC54CCC4)C(O)(O)C23N1.NC1=NC2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(N)N3CC(NC(=O)c4cccc5c4OCCC54CCC4)C(O)(O)C23N1.

What is the InChIKey of N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide?

The InChIKey is SAFXWQLBCYDCEK-FOZXECRUSA-N. The full InChI is InChI=1S/C31H35N9O6.2C30H31N9O5.C26H32N8O6.2C25H28N8O5/c32-26-36-24-20(14-39-22(41)16-38(28(39)43)17-6-2-1-3-7-17)34-27(33)40-15-21(31(44,45)30(24,40)37-26)35-25(42)18-8-4-9-19-23(18)46-13-12-29(19)10-5-11-29;1-16-7-5-8-17-9-6-12-19(23(16)17)25(41)34-21-14-39-27(32)33-20(24-29(39,30(21,43)44)36-26(31)35-24)13-38-22(40)15-37(28(38)42)18-10-3-2-4-11-18;1-16-10-11-19-17(12-16)6-5-9-20(19)25(41)34-22-14-39-27(32)33-21(24-29(39,30(22,43)44)36-26(31)35-24)13-38-23(40)15-37(28(38)42)18-7-3-2-4-8-18;27-22-31-20-15(11-33-17(35)5-6-18(33)36)29-23(28)34-12-16(26(38,39)25(20,34)32-22)30-21(37)13-3-1-4-14-19(13)40-10-9-24(14)7-2-8-24;1-12-4-2-5-13-6-3-7-14(19(12)13)21(36)29-16-11-33-23(27)28-15(10-32-17(34)8-9-18(32)35)20-24(33,25(16,37)38)31-22(26)30-20;1-12-5-6-14-13(9-12)3-2-4-15(14)21(36)29-17-11-33-23(27)28-16(10-32-18(34)7-8-19(32)35)20-24(33,25(17,37)38)31-22(26)30-20/h1-4,6-9,20-21,24,44-45H,5,10-16H2,(H2,33,34)(H,35,42)(H3,32,36,37);2-12,20-21,24,43-44H,13-15H2,1H3,(H2,32,33)(H,34,41)(H3,31,35,36);2-12,21-22,24,43-44H,13-15H2,1H3,(H2,32,33)(H,34,41)(H3,31,35,36);1,3-4,15-16,20,38-39H,2,5-12H2,(H2,28,29)(H,30,37)(H3,27,31,32);2-7,15-16,20,37-38H,8-11H2,1H3,(H2,27,28)(H,29,36)(H3,26,30,31);2-6,9,16-17,20,37-38H,7-8,10-11H2,1H3,(H2,27,28)(H,29,36)(H3,26,30,31)/t20-,21?,24?,30?;20-,21?,24?,29?;21-,22?,24?,29?;15-,16?,20?,25?;15-,16?,20?,24?;16-,17?,20?,24?/m000000/s1.

What are the key properties of N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide?

N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide has a molecular weight of 3418.64 g/mol, XLogP of -8.12, 27 rotatable bonds, 36 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-6-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide;N-[(3aS,4S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]spiro[2,3-dihydrochromene-4,1'-cyclobutane]-8-carboxamide is sourced from PubChem (CID 160778298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).