(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid

C37H43NO3Si — CID 90465698

IUPAC(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid
SMILESC[C@H](C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C37H43NO3Si/c1-26(33(25-27-17-9-7-10-18-27)41-42(5,6)36(2,3)4)34(35(39)40)38-37(28-19-11-8-12-20-28)31-23-15-13-21-29(31)30-22-14-16-24-32(30)37/h7-24,26,33-34,38H,25H2,1-6H3,(H,39,40)/t26-,33?,34+/m1/s1
InChIKeyGQZDJNJBAZLKMF-UVYOXQOCSA-N
MW577.84 g/mol
LogP8.27
Rot. Bonds10

About (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid

(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid (PubChem CID 90465698) has the molecular formula C37H43NO3Si and a molecular weight of 577.84 g/mol. Its IUPAC name is (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid
PubChem CID90465698
Molecular FormulaC37H43NO3Si
Molecular Weight577.84 g/mol
Exact Mass577.30
IUPAC Name(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid
SMILESC[C@H](C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C37H43NO3Si/c1-26(33(25-27-17-9-7-10-18-27)41-42(5,6)36(2,3)4)34(35(39)40)38-37(28-19-11-8-12-20-28)31-23-15-13-21-29(31)30-22-14-16-24-32(30)37/h7-24,26,33-34,38H,25H2,1-6H3,(H,39,40)/t26-,33?,34+/m1/s1
InChIKeyGQZDJNJBAZLKMF-UVYOXQOCSA-N
XLogP8.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.84
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid (CID 90465698) is (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid is C[C@H](C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid?
The InChIKey is GQZDJNJBAZLKMF-UVYOXQOCSA-N. The full InChI is InChI=1S/C37H43NO3Si/c1-26(33(25-27-17-9-7-10-18-27)41-42(5,6)36(2,3)4)34(35(39)40)38-37(28-19-11-8-12-20-28)31-23-15-13-21-29(31)30-22-14-16-24-32(30)37/h7-24,26,33-34,38H,25H2,1-6H3,(H,39,40)/t26-,33?,34+/m1/s1.
What are the key properties of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid?
(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid has a molecular weight of 577.84 g/mol, XLogP of 8.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid is sourced from PubChem (CID 90465698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).