Z-Ala-pro-OH
PubChem CID
5388928
Structure
Molecular Formula
Synonyms
- Z-ALA-PRO-OH
- 21027-01-0
- Z-ALA PROLINAL
- L-Proline, N-[(phenylmethoxy)carbonyl]-L-alanyl-
- N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE
Molecular Weight
320.34 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-06-24
- Modify:2025-01-11
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Cbz-Ala-Pro-OH
Sequence
AP
HELM
PEPTIDE1{[*C(=O)[C@H](C)NC(=O)OCc1ccccc1 |$_R2;;;;;;;;;;;;;;;$|].P}$$$$
IUPAC
N-benzoxycarbonyl-L-alanyl-L-proline
(2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
RSSOZTMMMIWOJB-AAEUAGOBSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCC2=CC=CC=C2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H20N2O5
Computed by PubChem 2.1 (PubChem release 2021.05.07)
21027-01-0
- Z-ALA-PRO-OH
- 21027-01-0
- Z-ALA PROLINAL
- L-Proline, N-[(phenylmethoxy)carbonyl]-L-alanyl-
- N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE
- (2S)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl]pyrrolidine-2-carboxylic acid
- (S)-1-((S)-2-(((Benzyloxy)carbonyl)amino)propanoyl)pyrrolidine-2-carboxylic acid
- NSC-333444
- MFCD00037335
- N-benzyloxycarbonyl-L-alanyl-L-proline
- (2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
- ZAH
- benzyloxycarbonyl-alanyl-proline
- P6X7ZC6L89
- SCHEMBL7334484
- RSSOZTMMMIWOJB-AAEUAGOBSA-N
- Benzyloxycarbonyl-L-alanyl-L-proline
- AKOS030525051
- DB04033
- AS-67977
- NS00068678
- N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-proline
- Q27094887
- L-Proline, 1-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-
- (S)-1-((S)-2-(benzyloxycarbonylamino)propanoyl)pyrrolidine-2-carboxylic acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
320.34 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
1.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
320.13722174 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
320.13722174 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
95.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
448
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.05.07)
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=RSSOZTMMMIWOJB-AAEUAGOBSA-N
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useZ-Ala Prolinalhttps://www.drugbank.ca/drugs/DB04033
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/Z-ala-pro-ohNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- Springer Nature
- WikidataZ-Ala Prolinalhttps://www.wikidata.org/wiki/Q27094887
- PubChem
- PATENTSCOPE (WIPO)SID 403465372https://pubchem.ncbi.nlm.nih.gov/substance/403465372
CONTENTS