Cas no 723331-20-2 (ZJ 43)

ZJ 43 structure
ZJ 43 structure
Product Name:ZJ 43
CAS No:723331-20-2
MF:C12H20N2O7
MW:304.296403884888
CID:877557
Update Time:2025-04-19

ZJ 43 Chemical and Physical Properties

Names and Identifiers

    • ZJ 43
    • (2S)-2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
    • N-[[[(1S)-1-CARBOXY-3-METHYLBUTYL]AMINO]CARBONYL]-L-GLUTAMIC ACID
    • zj43
    • CID 11722553
    • (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid
    • YDB33120
    • BDBM50304738
    • 2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedioic acid
    • D6E
    • Inchi: 1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1
    • InChI Key: BSGWCSGMXAVYRT-YUMQZZPRSA-N
    • SMILES: OC([C@H](CC(C)C)NC(N[C@H](C(=O)O)CCC(=O)O)=O)=O

Computed Properties

  • Exact Mass: 304.12700
  • Monoisotopic Mass: 304.12705098 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 9
  • Complexity: 408
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 153
  • Molecular Weight: 304.30

Experimental Properties

  • PSA: 153.03000
  • LogP: 0.88470

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