(7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane

C165H249N19O20 — CID 167561118

About (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane

(7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane (PubChem CID 167561118) has the molecular formula C165H249N19O20 and a molecular weight of 2818.92 g/mol. Its IUPAC name is (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane.

Molecular Properties

• Compound Name: (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane
• PubChem CID: 167561118
• Molecular Formula: C165H249N19O20
• Molecular Weight: 2818.92 g/mol
• Exact Mass: 2816.91
• IUPAC Name: (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane
• SMILES: C.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(CC(C)C)cc(c31)CCCCCCCCCCCO2.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(NC(C)C)cc(c31)CCCCCCCCCCCO2.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(NC)cc(c31)CCCCCCCCCCCO2.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(NCC(C)C)cc(c31)CCCCCCCCCCCO2.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(NCC4CCCCC4)cc(c31)CCCCCCCCCCCO2
• InChI: InChI=1S/C36H54N4O4.C33H50N4O4.C33H49N3O4.C32H48N4O4.C30H44N4O4.CH4/c1-3-31(42)36-32-19-20-39(36)33(43)25-40-35-28(18-14-9-7-5-4-6-8-10-15-21-44-32)22-29(23-30(35)34(38-40)26(2)41)37-24-27-16-12-11-13-17-27;1-5-28(39)33-29-16-17-36(33)30(40)22-37-32-25(15-13-11-9-7-6-8-10-12-14-18-41-29)19-26(34-21-23(2)3)20-27(32)31(35-37)24(4)38;1-5-28(38)33-29-16-17-35(33)30(39)22-36-32-26(15-13-11-9-7-6-8-10-12-14-18-40-29)20-25(19-23(2)3)21-27(32)31(34-36)24(4)37;1-5-27(38)32-28-16-17-35(32)29(39)21-36-31-24(15-13-11-9-7-6-8-10-12-14-18-40-28)19-25(33-22(2)3)20-26(31)30(34-36)23(4)37;1-4-25(36)30-26-15-16-33(30)27(37)20-34-29-22(14-12-10-8-6-5-7-9-11-13-17-38-26)18-23(31-3)19-24(29)28(32-34)21(2)35;/h22-23,27,32,36-37H,3-21,24-25H2,1-2H3;19-20,23,29,33-34H,5-18,21-22H2,1-4H3;20-21,23,29,33H,5-19,22H2,1-4H3;19-20,22,28,32-33H,5-18,21H2,1-4H3;18-19,26,30-31H,4-17,20H2,1-3H3;1H4/t32-,36-;2*29-,33-;28-,32-;26-,30-;/m11111./s1
• InChIKey: DRBMXVWJLFWOHH-CPBBSYQZSA-N
• XLogP: 32.11
• TPSA: 455.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2818.92
LogP ≤ 5	32.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane?

The IUPAC name of (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane (CID 167561118) is (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane.

What is the SMILES notation for (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane?

The canonical SMILES for (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane is C.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(CC(C)C)cc(c31)CCCCCCCCCCCO2.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(NC(C)C)cc(c31)CCCCCCCCCCCO2.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(NC)cc(c31)CCCCCCCCCCCO2.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(NCC(C)C)cc(c31)CCCCCCCCCCCO2.CCC(=O)[C@@H]1[C@H]2CCN1C(=O)Cn1nc(C(C)=O)c3cc(NCC4CCCCC4)cc(c31)CCCCCCCCCCCO2.

What is the InChIKey of (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane?

The InChIKey is DRBMXVWJLFWOHH-CPBBSYQZSA-N. The full InChI is InChI=1S/C36H54N4O4.C33H50N4O4.C33H49N3O4.C32H48N4O4.C30H44N4O4.CH4/c1-3-31(42)36-32-19-20-39(36)33(43)25-40-35-28(18-14-9-7-5-4-6-8-10-15-21-44-32)22-29(23-30(35)34(38-40)26(2)41)37-24-27-16-12-11-13-17-27;1-5-28(39)33-29-16-17-36(33)30(40)22-37-32-25(15-13-11-9-7-6-8-10-12-14-18-41-29)19-26(34-21-23(2)3)20-27(32)31(35-37)24(4)38;1-5-28(38)33-29-16-17-35(33)30(39)22-36-32-26(15-13-11-9-7-6-8-10-12-14-18-40-29)20-25(19-23(2)3)21-27(32)31(34-36)24(4)37;1-5-27(38)32-28-16-17-35(32)29(39)21-36-31-24(15-13-11-9-7-6-8-10-12-14-18-40-28)19-25(33-22(2)3)20-26(31)30(34-36)23(4)37;1-4-25(36)30-26-15-16-33(30)27(37)20-34-29-22(14-12-10-8-6-5-7-9-11-13-17-38-26)18-23(31-3)19-24(29)28(32-34)21(2)35;/h22-23,27,32,36-37H,3-21,24-25H2,1-2H3;19-20,23,29,33-34H,5-18,21-22H2,1-4H3;20-21,23,29,33H,5-19,22H2,1-4H3;19-20,22,28,32-33H,5-18,21H2,1-4H3;18-19,26,30-31H,4-17,20H2,1-3H3;1H4/t32-,36-;2*29-,33-;28-,32-;26-,30-;/m11111./s1.

What are the key properties of (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane?

(7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane has a molecular weight of 2818.92 g/mol, XLogP of 32.11, 26 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,28S)-25-acetyl-22-(cyclohexylmethylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(methylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropylamino)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-22-(2-methylpropyl)-28-propanoyl-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;(7R,28S)-25-acetyl-28-propanoyl-22-(propan-2-ylamino)-8-oxa-1,4,26-triazatetracyclo[18.6.1.14,7.024,27]octacosa-20(27),21,23,25-tetraen-3-one;methane is sourced from PubChem (CID 167561118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).