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2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid

chemical compound
ChemicalSubstance group_of_stereoisomers Q27190628
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2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid

Summary

2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid is a group of stereoisomers[1].

Key Facts

  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's instance of is recorded as group of stereoisomers[2].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's canonical SMILES is recorded as CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)NC=O[3].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's InChI is recorded as InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)[4].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's InChIKey is recorded as PRQROPMIIGLWRP-UHFFFAOYSA-N[5].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's chemical formula is recorded as C₂₁H₃₁N₃O₅S[6].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's subclass of is recorded as chemical compound[7].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's ChemSpider ID is recorded as 4211[8].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's PubChem CID is recorded as 4364[9].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's ChEBI ID is recorded as 111167[10].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's Human Metabolome Database ID is recorded as HMDB0255144[11].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+437.198'}[12].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's NSC number is recorded as 350593[13].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's SureChEMBL ID is recorded as 39528[14].
  • 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid's UniChem compound ID is recorded as 582002[15].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . PubChem. Retrieved . wikidata.org.
  3. [4] ↑ . PubChem. Retrieved . wikidata.org.
  4. [5] ↑ . PubChem. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . Q2311683. Retrieved . wikidata.org.
  8. [9] ↑ . PubChem. Retrieved . wikidata.org.
  9. [10] ↑ . ChEBI. Retrieved . wikidata.org.
  10. [11] ↑ . wikidata.org.
  11. [12] ↑ . PubChem. Retrieved . wikidata.org.
  12. [13] ↑ . wikidata.org.
  13. [14] ↑ . wikidata.org.
  14. [15] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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APA 4ort.xyz Knowledge Graph. (2026). 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid. Retrieved May 3, 2026, from https://4ort.xyz/entity/2-2-2-formamido-4-methylthio-1-oxobutyl-amino-4-methyl-1-oxopentyl-amino-3-phenylpropanoic-acid
MLA “2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/2-2-2-formamido-4-methylthio-1-oxobutyl-amino-4-methyl-1-oxopentyl-amino-3-phenylpropanoic-acid.
BibTeX @misc{4ortxyz_2-2-2-formamido-4-methylthio-1-oxobutyl-amino-4-methyl-1-oxopentyl-amino-3-phenylpropanoic-acid_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid}}, year = {2026}, url = {https://4ort.xyz/entity/2-2-2-formamido-4-methylthio-1-oxobutyl-amino-4-methyl-1-oxopentyl-amino-3-phenylpropanoic-acid}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid — https://4ort.xyz/entity/2-2-2-formamido-4-methylthio-1-oxobutyl-amino-4-methyl-1-oxopentyl-amino-3-phenylpropanoic-acid (retrieved 2026-05-03)

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