9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate

C50H44N4O7 — CID 24787036

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate
SMILESO=C(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H44N4O7/c55-45(53-50(35-19-7-2-8-20-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37)32-43(46(56)51-44(31-34-17-5-1-6-18-34)47(57)54-29-30-60-49(54)59)52-48(58)61-33-42-40-27-15-13-25-38(40)39-26-14-16-28-41(39)42/h1-28,42-44H,29-33H2,(H,51,56)(H,52,58)(H,53,55)/t43-,44-/m0/s1
InChIKeyGLGMPAAUUZBGKR-CXNSMIOJSA-N
MW812.92 g/mol
LogP7.10
Rot. Bonds14

About 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate (PubChem CID 24787036) has the molecular formula C50H44N4O7 and a molecular weight of 812.92 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate
PubChem CID24787036
Molecular FormulaC50H44N4O7
Molecular Weight812.92 g/mol
Exact Mass812.32
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate
SMILESO=C(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H44N4O7/c55-45(53-50(35-19-7-2-8-20-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37)32-43(46(56)51-44(31-34-17-5-1-6-18-34)47(57)54-29-30-60-49(54)59)52-48(58)61-33-42-40-27-15-13-25-38(40)39-26-14-16-28-41(39)42/h1-28,42-44H,29-33H2,(H,51,56)(H,52,58)(H,53,55)/t43-,44-/m0/s1
InChIKeyGLGMPAAUUZBGKR-CXNSMIOJSA-N
XLogP7.10
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.92
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid
CID 3536635
11-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]oxyundecanoic acid
CID 101393139
6-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]hexanoic acid
CID 101393129
trityl 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]acetate
CID 175747669
methyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5-dioxo-5-(tritylamino)pentanoate
CID 101255450
(2S)-2-[[(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid
CID 15138220
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 132525640
9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
CID 53230057
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoate
CID 15138257
3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 155885463
trityl (2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 175747666
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 175876902

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate (CID 24787036) is 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate is O=C(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate?
The InChIKey is GLGMPAAUUZBGKR-CXNSMIOJSA-N. The full InChI is InChI=1S/C50H44N4O7/c55-45(53-50(35-19-7-2-8-20-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37)32-43(46(56)51-44(31-34-17-5-1-6-18-34)47(57)54-29-30-60-49(54)59)52-48(58)61-33-42-40-27-15-13-25-38(40)39-26-14-16-28-41(39)42/h1-28,42-44H,29-33H2,(H,51,56)(H,52,58)(H,53,55)/t43-,44-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate has a molecular weight of 812.92 g/mol, XLogP of 7.10, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-1-[[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropan-2-yl]amino]-4-(tritylamino)butan-2-yl]carbamate is sourced from PubChem (CID 24787036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).