GC-376
PubChem CID
71481119
Structure
Molecular Formula
Synonyms
- 1416992-39-6
- GC376
- GC376 sodium
- H1NMJ5XDG5
- UNII-H1NMJ5XDG5
Molecular Weight
507.5 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2013-06-10
- Modify:2025-01-11
Chemical Structure Depiction
3D Conformer of Parent
sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C21H31N3O8S.Na/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25;/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31);/q;+1/p-1/t15?,16-,17-,20?;/m0./s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
BSPJDKCMFIPBAW-JPBGFCRCSA-M
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C21H30N3NaO8S
Computed by PubChem 2.2 (PubChem release 2024.11.20)
1416992-39-6
- (beta S)-alpha-hydroxy-beta-(((2S)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic acid
- (beta S)-alpha-hydroxy-beta-(((2S)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic acid (1:1) sodium salt
- GC 376
- GC-376
- GC-376 free acid
- GC376
- Sodium (2S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
- 1416992-39-6
- GC376
- GC376 sodium
- H1NMJ5XDG5
- UNII-H1NMJ5XDG5
- GC-376
- (betaS)-alpha-Hydroxy-beta-[[(2S)-4-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-2-oxo-3-pyrrolidinepropanesulfonic acid sodium salt
- Sodium (2S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
- sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
- comound 7a (PMID: 23218713)
- comound 7a [PMID: 23218713]
- 3-PYRROLIDINEPROPANESULFONIC ACID, .ALPHA.-HYDROXY-.BETA.-(((2S)-4-METHYL-1-OXO-2-(((PHENYLMETHOXY)CARBONYL)AMINO)PENTYL)AMINO)-2-OXO-, SODIUM SALT (1:1), (.BETA.S)-
- 3-Pyrrolidinepropanesulfonic acid, alpha-hydroxy-beta-(((2S)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-, sodium salt (1:1), (betaS)-
- sodium (2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
- compound 7a (PMID: 23218713)
- compound 7a [PMID: 23218713]
- (beta S)-alpha-hydroxy-beta-(((2S)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic acid
- CHEMBL2315036
- DTXSID001028041
- GC 376
- AT23091
- CS-6923
- GC-376?
- AS-84675
- HY-100721
- (betaS)-alpha-hydroxy-beta-(((2S)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic acid monosodium salt
- Sodium (2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
507.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
507.16513038 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
507.16513038 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
182 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
34
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
783
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
2
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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 Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Protease Inhibitors
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES). (See all compounds classified as Protease Inhibitors.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BSPJDKCMFIPBAW-JPBGFCRCSA-M
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxSodium (2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonatehttps://comptox.epa.gov/dashboard/DTXSID001028041CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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
- Therapeutic Target Database (TTD)
- Wikidata
- Wikipedia
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlProtease Inhibitorshttps://www.ncbi.nlm.nih.gov/mesh/68011480
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 447036694https://pubchem.ncbi.nlm.nih.gov/substance/447036694
CONTENTS