(10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione

C43H46ClN3O5Si — CID 174155842

About (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione

(10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione (PubChem CID 174155842) has the molecular formula C43H46ClN3O5Si and a molecular weight of 748.40 g/mol. Its IUPAC name is (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione.

Molecular Properties

• Compound Name: (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
• PubChem CID: 174155842
• Molecular Formula: C43H46ClN3O5Si
• Molecular Weight: 748.40 g/mol
• Exact Mass: 747.29
• IUPAC Name: (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(Cl)c(C)c3c1c2[C@H](NC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC3
• InChI: InChI=1S/C43H46ClN3O5Si/c1-7-43(50)32-20-36-39-30(23-47(36)40(48)31(32)24-51-41(43)49)38-34(19-18-29-26(3)33(44)21-35(46-39)37(29)38)45-22-25(2)52-53(42(4,5)6,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-17,20-21,25,34,45,50H,7,18-19,22-24H2,1-6H3/t25-,34+,43-/m0/s1
• InChIKey: AVBVIUOOWUSEFU-VYOGCSQUSA-N
• XLogP: 6.58
• TPSA: 102.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.40
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?

The IUPAC name of (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione (CID 174155842) is (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione.

What is the SMILES notation for (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?

The canonical SMILES for (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(Cl)c(C)c3c1c2[C@H](NC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC3.

What is the InChIKey of (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?

The InChIKey is AVBVIUOOWUSEFU-VYOGCSQUSA-N. The full InChI is InChI=1S/C43H46ClN3O5Si/c1-7-43(50)32-20-36-39-30(23-47(36)40(48)31(32)24-51-41(43)49)38-34(19-18-29-26(3)33(44)21-35(46-39)37(29)38)45-22-25(2)52-53(42(4,5)6,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-17,20-21,25,34,45,50H,7,18-19,22-24H2,1-6H3/t25-,34+,43-/m0/s1.

What are the key properties of (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?

(10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione has a molecular weight of 748.40 g/mol, XLogP of 6.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,23R)-23-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]amino]-18-chloro-10-ethyl-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione is sourced from PubChem (CID 174155842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).