(2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid

C24H25NO4S — CID 21144451

IUPAC(2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid
SMILESCOc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25NO4S/c1-28-20-12-8-18(9-13-20)24(17-6-4-3-5-7-17,30-16-22(25)23(26)27)19-10-14-21(29-2)15-11-19/h3-15,22H,16,25H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKeyMMPGFLZZIDSTQQ-QFIPXVFZSA-N
MW423.53 g/mol
LogP4.14
Rot. Bonds9

About (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid (PubChem CID 21144451) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid
PubChem CID21144451
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name(2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid
SMILESCOc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25NO4S/c1-28-20-12-8-18(9-13-20)24(17-6-4-3-5-7-17,30-16-22(25)23(26)27)19-10-14-21(29-2)15-11-19/h3-15,22H,16,25H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKeyMMPGFLZZIDSTQQ-QFIPXVFZSA-N
XLogP4.14
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid (CID 21144451) is (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid is COc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid?
The InChIKey is MMPGFLZZIDSTQQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-28-20-12-8-18(9-13-20)24(17-6-4-3-5-7-17,30-16-22(25)23(26)27)19-10-14-21(29-2)15-11-19/h3-15,22H,16,25H2,1-2H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid has a molecular weight of 423.53 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid is sourced from PubChem (CID 21144451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).