2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid

C25H26N2O3S — CID 24860491

IUPAC2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid
SMILESCC(NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H26N2O3S/c1-18(24(29)30)27-23(28)22(26)17-31-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,26H2,1H3,(H,27,28)(H,29,30)/t18?,22-/m0/s1
InChIKeyFZQYVSVNAAICAM-YSYXNDDBSA-N
MW434.56 g/mol
LogP3.63
Rot. Bonds9

About 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid

2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid (PubChem CID 24860491) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid
PubChem CID24860491
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid
SMILESCC(NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H26N2O3S/c1-18(24(29)30)27-23(28)22(26)17-31-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,26H2,1H3,(H,27,28)(H,29,30)/t18?,22-/m0/s1
InChIKeyFZQYVSVNAAICAM-YSYXNDDBSA-N
XLogP3.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]-3-tritylsulfanylpropanamide
CID 138708285
2-amino-3-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 71664710
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
CID 21117270
(2S)-2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]-5-oxo-5-(tritylamino)pentanoic acid
CID 175945312
(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid
CID 51356551
(2R)-2-amino-3-[(4-hydroxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 24860496
tert-butyl (2S)-2-amino-3-tritylsulfanylpropanoate;hydrochloride
CID 131697882
tert-butyl N-[(2R)-2-amino-3-tritylsulfanylpropanoyl]carbamate
CID 57173848
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2R)-2-amino-3-tritylsulfanylpropanoic acid
CID 146572168
(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
CID 170847509
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid?
The IUPAC name of 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid (CID 24860491) is 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid is CC(NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid?
The InChIKey is FZQYVSVNAAICAM-YSYXNDDBSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-18(24(29)30)27-23(28)22(26)17-31-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,26H2,1H3,(H,27,28)(H,29,30)/t18?,22-/m0/s1.
What are the key properties of 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid?
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid has a molecular weight of 434.56 g/mol, XLogP of 3.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 24860491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).