(S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid

CAS 127862-89-9  ·  C18H19NO4  ·  MW 313.3 g/mol

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3D model (S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid, CAS 127862-89-9, molecular formula C18H19NO4, molar mass 313.3 g/mol
About (S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid

(S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid is a chemical compound registered under number CAS 127862-89-9, with the molecular formula C18H19NO4, and a molar mass of 313.3 g/mol.

The molecule contains 42 atoms connected by 43 chemical bonds. The full systematic IUPAC name of this compound is (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 3.4 (positive value, a lipophilic compound), polar surface area PSA = 75.6 Ų, 2 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC18H19NO4
Masa molowa313.3 g/mol
IUPAC(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid
SMILESC1=CC=C(C=C1)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
InChIKeyGUWSQYJXSRIJCI-INIZCTEOSA-N
logP (XLogP3)3.4
PSA75.6 Ų
HBD / HBA2 / 4
PubChem CIDCID 7010616 ↗
Scientific literature

Related literature

15 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (15 articles)

2020: 1 articles20202021: 3 articles2022: 1 articles2023: 3 articles20232024: 3 articles2025: 3 articles2026: 1 articles2026

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
127862-89-9 · Z-Homophe-OH · (S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid · Cbz-L-homoPhenylalanine · MFCD00038796 · Cbz-L-Homophe · (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid · (S)-2-(Z-amino)-4-phenylbutyric acid · (2S)-2-{[(benzyloxy)carbonyl]amino}-4-phenylbutanoic acid · Benzenebutanoic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, (alphaS)- · AKOS016842959 · CS-W012045 · (N-carbobenzyloxy)-(L)-homophenylalanine · Cbz-L-homophenyl-Ala · Cbz-HoPhe-OH
Data sources
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📜 License & provenanceMolGod_License_1
Model
(S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid · 127862-89-9
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
(S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid (CAS 127862-89-9) →
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(S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid →
Source data
PubChem CID 7010616 ↗
SHA-256 (STL)
7e6d3ed54068e4541ab46ea8da1d16d773b80ae8fa84177c79641fb7cb7f293d
Wikimedia Commons
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