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

C43H42N2O3S — CID 118626870

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C43H42N2O3S/c46-41(44-34-23-11-4-12-24-34)40(45-42(47)48-29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)39)30-49-43(31-17-5-1-6-18-31,32-19-7-2-8-20-32)33-21-9-3-10-22-33/h1-3,5-10,13-22,25-28,34,39-40H,4,11-12,23-24,29-30H2,(H,44,46)(H,45,47)/t40-/m0/s1
InChIKeyZVRMTQLTHKEFRF-FAIXQHPJSA-N
MW666.89 g/mol
LogP9.07
Rot. Bonds11

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

9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate (PubChem CID 118626870) has the molecular formula C43H42N2O3S and a molecular weight of 666.89 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
PubChem CID118626870
Molecular FormulaC43H42N2O3S
Molecular Weight666.89 g/mol
Exact Mass666.29
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C43H42N2O3S/c46-41(44-34-23-11-4-12-24-34)40(45-42(47)48-29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)39)30-49-43(31-17-5-1-6-18-31,32-19-7-2-8-20-32)33-21-9-3-10-22-33/h1-3,5-10,13-22,25-28,34,39-40H,4,11-12,23-24,29-30H2,(H,44,46)(H,45,47)/t40-/m0/s1
InChIKeyZVRMTQLTHKEFRF-FAIXQHPJSA-N
XLogP9.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.89
LogP ≤ 59.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid
CID 7168037
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoate
CID 145269584
cyclooctyl (2S,3S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]-3-methylpentanoate
CID 166703806
(2R)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid
CID 87985260
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
(4-ethoxyphenyl)methyl (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-tritylsulfanylpropanoate
CID 59625103
methyl (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate
CID 101057472
prop-2-enyl (2R)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]-3-tritylsulfanylpropanoate
CID 11308603
tert-butyl N-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-tritylsulfanylhexyl]-N-methylcarbamate
CID 167540455
methyl (2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]-3-(4-nitrophenyl)propanoate
CID 46842149
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(trifluoromethylsulfanyl)propanoic acid
CID 155270887

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate (CID 118626870) is 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate is O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate?
The InChIKey is ZVRMTQLTHKEFRF-FAIXQHPJSA-N. The full InChI is InChI=1S/C43H42N2O3S/c46-41(44-34-23-11-4-12-24-34)40(45-42(47)48-29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)39)30-49-43(31-17-5-1-6-18-31,32-19-7-2-8-20-32)33-21-9-3-10-22-33/h1-3,5-10,13-22,25-28,34,39-40H,4,11-12,23-24,29-30H2,(H,44,46)(H,45,47)/t40-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate has a molecular weight of 666.89 g/mol, XLogP of 9.07, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-1-(cyclohexylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate is sourced from PubChem (CID 118626870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).