(4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

C38H51BrN4O6Si — CID 131744088

IUPAC(4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
SMILESC/C1=C\CCOC(=O)C[C@H](c2ccc(O[Si](C)(C)C(C)(C)C)c(Br)c2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)CC1
InChIInChI=1S/C38H51BrN4O6Si/c1-24-12-11-19-48-35(45)22-31(26-16-17-33(29(39)20-26)49-50(7,8)38(3,4)5)42-36(46)32(21-27-23-40-30-14-10-9-13-28(27)30)43(6)37(47)25(2)41-34(44)18-15-24/h9-10,12-14,16-17,20,23,25,31-32,40H,11,15,18-19,21-22H2,1-8H3,(H,41,44)(H,42,46)/b24-12+/t25-,31+,32+/m0/s1
InChIKeyWCNDULZFVHAPBR-CILKDNFRSA-N
MW767.84 g/mol
LogP7.11
Rot. Bonds5

About (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

(4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone (PubChem CID 131744088) has the molecular formula C38H51BrN4O6Si and a molecular weight of 767.84 g/mol. Its IUPAC name is (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone.

Molecular Properties

Compound Name(4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
PubChem CID131744088
Molecular FormulaC38H51BrN4O6Si
Molecular Weight767.84 g/mol
Exact Mass766.28
IUPAC Name(4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
SMILESC/C1=C\CCOC(=O)C[C@H](c2ccc(O[Si](C)(C)C(C)(C)C)c(Br)c2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)CC1
InChIInChI=1S/C38H51BrN4O6Si/c1-24-12-11-19-48-35(45)22-31(26-16-17-33(29(39)20-26)49-50(7,8)38(3,4)5)42-36(46)32(21-27-23-40-30-14-10-9-13-28(27)30)43(6)37(47)25(2)41-34(44)18-15-24/h9-10,12-14,16-17,20,23,25,31-32,40H,11,15,18-19,21-22H2,1-8H3,(H,41,44)(H,42,46)/b24-12+/t25-,31+,32+/m0/s1
InChIKeyWCNDULZFVHAPBR-CILKDNFRSA-N
XLogP7.11
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.84
LogP ≤ 57.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone?
The IUPAC name of (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone (CID 131744088) is (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone.
What is the SMILES notation for (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone?
The canonical SMILES for (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone is C/C1=C\CCOC(=O)C[C@H](c2ccc(O[Si](C)(C)C(C)(C)C)c(Br)c2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)CC1.
What is the InChIKey of (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone?
The InChIKey is WCNDULZFVHAPBR-CILKDNFRSA-N. The full InChI is InChI=1S/C38H51BrN4O6Si/c1-24-12-11-19-48-35(45)22-31(26-16-17-33(29(39)20-26)49-50(7,8)38(3,4)5)42-36(46)32(21-27-23-40-30-14-10-9-13-28(27)30)43(6)37(47)25(2)41-34(44)18-15-24/h9-10,12-14,16-17,20,23,25,31-32,40H,11,15,18-19,21-22H2,1-8H3,(H,41,44)(H,42,46)/b24-12+/t25-,31+,32+/m0/s1.
What are the key properties of (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone?
(4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone has a molecular weight of 767.84 g/mol, XLogP of 7.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R,10S,15E)-4-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(1H-indol-3-ylmethyl)-8,10,15-trimethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone is sourced from PubChem (CID 131744088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).