N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide

C35H43N5O8 — CID 162637303

About N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide

N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide (PubChem CID 162637303) has the molecular formula C35H43N5O8 and a molecular weight of 661.76 g/mol. Its IUPAC name is N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide.

Molecular Properties

• Compound Name: N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide
• PubChem CID: 162637303
• Molecular Formula: C35H43N5O8
• Molecular Weight: 661.76 g/mol
• Exact Mass: 661.31
• IUPAC Name: N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide
• SMILES: COc1cc2ccc1Oc1cc(ccc1O)CCC(=O)N[C@H](C)C(=O)N1C[C@@H](NC(=O)CCC(C)C)C[C@H]1C(=O)NCc1nc-2oc1C
• InChI: InChI=1S/C35H43N5O8/c1-19(2)6-12-32(43)38-24-16-26-33(44)36-17-25-21(4)47-34(39-25)23-9-11-28(30(15-23)46-5)48-29-14-22(7-10-27(29)41)8-13-31(42)37-20(3)35(45)40(26)18-24/h7,9-11,14-15,19-20,24,26,41H,6,8,12-13,16-18H2,1-5H3,(H,36,44)(H,37,42)(H,38,43)/t20-,24+,26+/m1/s1
• InChIKey: AUEOSSTZNXWISL-PSUQPPDWSA-N
• XLogP: 3.75
• TPSA: 172.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	661.76
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide?

The IUPAC name of N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide (CID 162637303) is N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide.

What is the SMILES notation for N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide?

The canonical SMILES for N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide is COc1cc2ccc1Oc1cc(ccc1O)CCC(=O)N[C@H](C)C(=O)N1C[C@@H](NC(=O)CCC(C)C)C[C@H]1C(=O)NCc1nc-2oc1C.

What is the InChIKey of N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide?

The InChIKey is AUEOSSTZNXWISL-PSUQPPDWSA-N. The full InChI is InChI=1S/C35H43N5O8/c1-19(2)6-12-32(43)38-24-16-26-33(44)36-17-25-21(4)47-34(39-25)23-9-11-28(30(15-23)46-5)48-29-14-22(7-10-27(29)41)8-13-31(42)37-20(3)35(45)40(26)18-24/h7,9-11,14-15,19-20,24,26,41H,6,8,12-13,16-18H2,1-5H3,(H,36,44)(H,37,42)(H,38,43)/t20-,24+,26+/m1/s1.

What are the key properties of N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide?

N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide has a molecular weight of 661.76 g/mol, XLogP of 3.75, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(9S,11S,15R)-23-hydroxy-27-methoxy-4,15-dimethyl-8,14,17-trioxo-3,25-dioxa-7,13,16,32-tetrazapentacyclo[24.2.2.12,5.120,24.09,13]dotriaconta-1(28),2(32),4,20(31),21,23,26,29-octaen-11-yl]-4-methylpentanamide is sourced from PubChem (CID 162637303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).