(1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide

C53H62N2O6Si — CID 142537121

About (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide

(1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide (PubChem CID 142537121) has the molecular formula C53H62N2O6Si and a molecular weight of 851.17 g/mol. Its IUPAC name is (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide.

Molecular Properties

• Compound Name: (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide
• PubChem CID: 142537121
• Molecular Formula: C53H62N2O6Si
• Molecular Weight: 851.17 g/mol
• Exact Mass: 850.44
• IUPAC Name: (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide
• SMILES: CN(Cc1ccccc1)C(=O)C1=C[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)ccc5c4[C@@]12CCN(CC1(COC2CCCCO2)CC1)[C@@H]3C5
• InChI: InChI=1S/C53H62N2O6Si/c1-49(2,3)62(39-18-10-6-11-19-39,40-20-12-7-13-21-40)61-42-24-23-38-32-43-51-27-28-53(57,41(33-51)47(56)54(4)34-37-16-8-5-9-17-37)48-52(51,45(38)46(42)60-48)29-30-55(43)35-50(25-26-50)36-59-44-22-14-15-31-58-44/h5-13,16-21,23-24,33,43-44,48,57H,14-15,22,25-32,34-36H2,1-4H3/t43-,44?,48-,51-,52+,53-/m1/s1
• InChIKey: LEZKYQNHFDOUPA-FOGHIXINSA-N
• XLogP: 7.69
• TPSA: 80.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.17
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide?

The IUPAC name of (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide (CID 142537121) is (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide.

What is the SMILES notation for (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide?

The canonical SMILES for (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide is CN(Cc1ccccc1)C(=O)C1=C[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)ccc5c4[C@@]12CCN(CC1(COC2CCCCO2)CC1)[C@@H]3C5.

What is the InChIKey of (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide?

The InChIKey is LEZKYQNHFDOUPA-FOGHIXINSA-N. The full InChI is InChI=1S/C53H62N2O6Si/c1-49(2,3)62(39-18-10-6-11-19-39,40-20-12-7-13-21-40)61-42-24-23-38-32-43-51-27-28-53(57,41(33-51)47(56)54(4)34-37-16-8-5-9-17-37)48-52(51,45(38)46(42)60-48)29-30-55(43)35-50(25-26-50)36-59-44-22-14-15-31-58-44/h5-13,16-21,23-24,33,43-44,48,57H,14-15,22,25-32,34-36H2,1-4H3/t43-,44?,48-,51-,52+,53-/m1/s1.

What are the key properties of (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide?

(1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide has a molecular weight of 851.17 g/mol, XLogP of 7.69, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S,6R,14R,15R)-N-benzyl-11-[tert-butyl(diphenyl)silyl]oxy-15-hydroxy-N-methyl-5-[[1-(oxan-2-yloxymethyl)cyclopropyl]methyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-16-carboxamide is sourced from PubChem (CID 142537121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).