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

C24H24N2O3S — CID 21117270

IUPAC2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C24H24N2O3S/c25-21(23(29)26-16-22(27)28)17-30-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKeyCQWAYRTZXZSUEP-NRFANRHFSA-N
MW420.53 g/mol
LogP3.24
Rot. Bonds9

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

2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid (PubChem CID 21117270) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
PubChem CID21117270
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C24H24N2O3S/c25-21(23(29)26-16-22(27)28)17-30-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKeyCQWAYRTZXZSUEP-NRFANRHFSA-N
XLogP3.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.24
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

2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid
CID 24860491
(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid
CID 51356551
(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
CID 170847509
(2R)-2-amino-3-[(4-hydroxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 24860496
2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid
CID 91976170
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]-3-tritylsulfanylpropanamide
CID 138708285
2-[[2-[[2-[[(2S)-2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 99654103
tert-butyl N-[(2R)-2-amino-3-tritylsulfanylpropanoyl]carbamate
CID 57173848
ditert-butyl (2S)-2-[[2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetyl]amino]pentanedioate
CID 22788428
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2R)-2-amino-3-tritylsulfanylpropanoic acid
CID 146572168
(2R)-2-amino-3-[(3-chlorophenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 57326474
tert-butyl (2S)-2-amino-3-tritylsulfanylpropanoate;hydrochloride
CID 131697882

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid (CID 21117270) is 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid is N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid?
The InChIKey is CQWAYRTZXZSUEP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N2O3S/c25-21(23(29)26-16-22(27)28)17-30-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,29)(H,27,28)/t21-/m0/s1.
What are the key properties of 2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid?
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid has a molecular weight of 420.53 g/mol, XLogP of 3.24, 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]acetic acid is sourced from PubChem (CID 21117270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).