9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate

C38H33NO3S — CID 88927890

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
SMILESC[C@@](C=O)(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C38H33NO3S/c1-37(26-40,39-36(41)42-25-35-33-23-13-11-21-31(33)32-22-12-14-24-34(32)35)27-43-38(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24,26,35H,25,27H2,1H3,(H,39,41)/t37-/m1/s1
InChIKeyIANCIBBYFAMQSR-DIPNUNPCSA-N
MW583.75 g/mol
LogP8.21
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate (PubChem CID 88927890) has the molecular formula C38H33NO3S and a molecular weight of 583.75 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
PubChem CID88927890
Molecular FormulaC38H33NO3S
Molecular Weight583.75 g/mol
Exact Mass583.22
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
SMILESC[C@@](C=O)(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C38H33NO3S/c1-37(26-40,39-36(41)42-25-35-33-23-13-11-21-31(33)32-22-12-14-24-34(32)35)27-43-38(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24,26,35H,25,27H2,1H3,(H,39,41)/t37-/m1/s1
InChIKeyIANCIBBYFAMQSR-DIPNUNPCSA-N
XLogP8.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.75
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-2-methyl-3-tritylsulfanylpropanoate
CID 11571138
9H-fluoren-9-ylmethyl N-(1-oxo-3-tritylsulfanylpropan-2-yl)carbamate
CID 75982876
9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
CID 53230059
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoate
CID 145269584
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid
CID 7168037
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)propanoic acid
CID 163335635
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-methylsulfonylpropanoic acid
CID 91128209
CID 123635365
CID 123635365

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate (CID 88927890) is 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate is C[C@@](C=O)(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate?
The InChIKey is IANCIBBYFAMQSR-DIPNUNPCSA-N. The full InChI is InChI=1S/C38H33NO3S/c1-37(26-40,39-36(41)42-25-35-33-23-13-11-21-31(33)32-22-12-14-24-34(32)35)27-43-38(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24,26,35H,25,27H2,1H3,(H,39,41)/t37-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate has a molecular weight of 583.75 g/mol, XLogP of 8.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-2-methyl-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate is sourced from PubChem (CID 88927890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).