HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

Alanine, ethyl ester, hydrochloride, L-

HCID 420554
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
27486-86-8
Standard SMILES
CCOC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
YTVDRQFRVFLYAT-UHFFFAOYSA-N
Molecular formula
C24H25NO2S
Average molar mass
391.5 g/mol
Monoisotopic mass
391.16060004

Names & identifiers

Preferred name
Alanine, ethyl ester, hydrochloride, L-
IUPAC
ethyl 2-amino-3-tritylsulfanylpropanoate

Names & synonyms

NSC12467427486-86-8Alanine, ethyl ester, hydrochloride, L-SCHEMBL9135894DTXSID30329478Ethyl S-(triphenylmethyl)cysteinateNSC-124674

Database identifiers

CAS
27486-86-8
PubChem CID
420554
DTXSID
DTXSID30329478

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
77.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
28
Formal charge
0
Complexity
420

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

2 records
New reaction record
HRID 97737 reaction equation
HRID 97737As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1239422 reaction equation
HRID 1239422As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes