2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide)

C209H196N28O29 — CID 159245608

About 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide)

2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide) (PubChem CID 159245608) has the molecular formula C209H196N28O29 and a molecular weight of 3564.03 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide).

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide)
• PubChem CID: 159245608
• Molecular Formula: C209H196N28O29
• Molecular Weight: 3564.03 g/mol
• Exact Mass: 3561.47
• IUPAC Name: 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide)
• SMILES: CCC(C)(C)C(=O)NC1Cc2ccc3c(c2)C24c5cccc(c5NC2O3)-c2cccc3c2C(=CC3)c2cnc(o2)-c2nc(oc24)C(C(C)C)NC1=O.CCCC(C)(C)C(=O)NC1Cc2ccc3c(c2)C24c5cccc(c5NC2O3)-c2cccc3c2C(=CC3)c2cnc(o2)-c2nc(oc24)C(C(C)C)NC1=O.COc1ccc2c3c(cn(C)c13)-c1cnc(o1)-c1nc3oc1C14c5cc(ccc5OC1Nc1c-2cccc14)CC(NC(=O)C(O)C(C)C)C(=O)NC3C(C)C.Cc1ccc2c3c(c[nH]c13)-c1cnc(o1)-c1nc3oc1C14c5cc(ccc5OC1Nc1c-2cccc14)CC(NC(=O)C(O)C(C)C)C(=O)NC3C(C)C.Cc1ccc2c3c(c[nH]c13)-c1cnc(o1)-c1nc3oc1C14c5cc(ccc5OC1Nc1c-2cccc14)CC(NC(=O)C(O)C(C)C)C(=O)NC3C(C)C
• InChI: InChI=1S/C43H41N5O5.C42H40N6O7.C42H39N5O5.2C41H38N6O6/c1-6-17-42(4,5)40(50)45-29-19-22-13-16-30-28(18-22)43-27-12-8-11-25(34(27)48-41(43)52-30)24-10-7-9-23-14-15-26(32(23)24)31-20-44-38(51-31)35-36(43)53-39(47-35)33(21(2)3)46-37(29)49;1-18(2)31-40-46-33-36(55-40)42-24-9-7-8-22(21-11-13-28(52-6)34-30(21)23(17-48(34)5)29-16-43-39(33)53-29)32(24)47-41(42)54-27-12-10-20(14-25(27)42)15-26(37(50)45-31)44-38(51)35(49)19(3)4;1-6-41(4,5)39(49)44-28-18-21-13-16-29-27(17-21)42-26-12-8-11-24(33(26)47-40(42)51-29)23-10-7-9-22-14-15-25(31(22)23)30-19-43-37(50-30)34-35(42)52-38(46-34)32(20(2)3)45-36(28)48;2*1-17(2)30-39-46-33-35(53-39)41-24-8-6-7-22(21-11-9-19(5)31-29(21)23(15-42-31)28-16-43-38(33)51-28)32(24)47-40(41)52-27-12-10-20(13-25(27)41)14-26(36(49)45-30)44-37(50)34(48)18(3)4/h7-13,15-16,18,20-21,29,33,41,48H,6,14,17,19H2,1-5H3,(H,45,50)(H,46,49);7-14,16-19,26,31,35,41,47,49H,15H2,1-6H3,(H,44,51)(H,45,50);7-13,15-17,19-20,28,32,40,47H,6,14,18H2,1-5H3,(H,44,49)(H,45,48);2*6-13,15-18,26,30,34,40,42,47-48H,14H2,1-5H3,(H,44,50)(H,45,49)
• InChIKey: KUQKJQRRUNQVMH-UHFFFAOYSA-N
• XLogP: 32.58
• TPSA: 764.03 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 45
• Rotatable Bonds: 22
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3564.03
LogP ≤ 5	32.58
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide)?

The IUPAC name of 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide) (CID 159245608) is 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide).

What is the SMILES notation for 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide)?

The canonical SMILES for 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide) is CCC(C)(C)C(=O)NC1Cc2ccc3c(c2)C24c5cccc(c5NC2O3)-c2cccc3c2C(=CC3)c2cnc(o2)-c2nc(oc24)C(C(C)C)NC1=O.CCCC(C)(C)C(=O)NC1Cc2ccc3c(c2)C24c5cccc(c5NC2O3)-c2cccc3c2C(=CC3)c2cnc(o2)-c2nc(oc24)C(C(C)C)NC1=O.COc1ccc2c3c(cn(C)c13)-c1cnc(o1)-c1nc3oc1C14c5cc(ccc5OC1Nc1c-2cccc14)CC(NC(=O)C(O)C(C)C)C(=O)NC3C(C)C.Cc1ccc2c3c(c[nH]c13)-c1cnc(o1)-c1nc3oc1C14c5cc(ccc5OC1Nc1c-2cccc14)CC(NC(=O)C(O)C(C)C)C(=O)NC3C(C)C.Cc1ccc2c3c(c[nH]c13)-c1cnc(o1)-c1nc3oc1C14c5cc(ccc5OC1Nc1c-2cccc14)CC(NC(=O)C(O)C(C)C)C(=O)NC3C(C)C.

What is the InChIKey of 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide)?

The InChIKey is KUQKJQRRUNQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41N5O5.C42H40N6O7.C42H39N5O5.2C41H38N6O6/c1-6-17-42(4,5)40(50)45-29-19-22-13-16-30-28(18-22)43-27-12-8-11-25(34(27)48-41(43)52-30)24-10-7-9-23-14-15-26(32(23)24)31-20-44-38(51-31)35-36(43)53-39(47-35)33(21(2)3)46-37(29)49;1-18(2)31-40-46-33-36(55-40)42-24-9-7-8-22(21-11-13-28(52-6)34-30(21)23(17-48(34)5)29-16-43-39(33)53-29)32(24)47-41(42)54-27-12-10-20(14-25(27)42)15-26(37(50)45-31)44-38(51)35(49)19(3)4;1-6-41(4,5)39(49)44-28-18-21-13-16-29-27(17-21)42-26-12-8-11-24(33(26)47-40(42)51-29)23-10-7-9-22-14-15-25(31(22)23)30-19-43-37(50-30)34-35(42)52-38(46-34)32(20(2)3)45-36(28)48;2*1-17(2)30-39-46-33-35(53-39)41-24-8-6-7-22(21-11-9-19(5)31-29(21)23(15-42-31)28-16-43-38(33)51-28)32(24)47-40(41)52-27-12-10-20(13-25(27)41)14-26(36(49)45-30)44-37(50)34(48)18(3)4/h7-13,15-16,18,20-21,29,33,41,48H,6,14,17,19H2,1-5H3,(H,45,50)(H,46,49);7-14,16-19,26,31,35,41,47,49H,15H2,1-6H3,(H,44,51)(H,45,50);7-13,15-17,19-20,28,32,40,47H,6,14,18H2,1-5H3,(H,44,49)(H,45,48);2*6-13,15-18,26,30,34,40,42,47-48H,14H2,1-5H3,(H,44,50)(H,45,49).

What are the key properties of 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide)?

2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide) has a molecular weight of 3564.03 g/mol, XLogP of 32.58, 22 rotatable bonds, 20 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]butanamide;2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]pentanamide;(2S)-2-hydroxy-N-[(10S,21S)-32-methoxy-34-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]-3-methylbutanamide;bis((2S)-2-hydroxy-3-methyl-N-[(10S,21S)-32-methyl-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl]butanamide) is sourced from PubChem (CID 159245608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).