Cas no 120796-22-7 (L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-L-allonoyl-)

L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-L-allonoyl- structure
120796-22-7 structure
Product Name:L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-L-allonoyl-
CAS No:120796-22-7
MF:C25H32N6O13
MW:624.553986549377
CID:156722
PubChem ID:129256
Update Time:2025-04-19

L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-L-allonoyl- Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-L-allonoyl-
    • (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
    • L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydr...
    • L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahyd
    • Nikkomycin pseudo-J
    • (2S)-2-({(2S)-2-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}-2-[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,4-dihydroxytetrahydrofuran-2-yl]acetyl}amino)pentanedioic acid (non-preferred name)
    • L-Glutamic acid, N-(N-((3S,4S)-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-L-valyl)-2-(tetrahydro-3,4-dihydroxy-5-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-2-furanyl)glycyl)-, (2R-(2alpha,3beta,4beta,5alpha))-
    • 120796-22-7
    • Inchi： 1S/C25H32N6O13/c1-8(16(35)11-3-2-9(32)6-27-11)14(26)22(39)30-15(23(40)29-12(24(41)42)4-5-13(33)34)20-18(37)17(36)19(44-20)10-7-28-25(43)31-21(10)38/h2-3,6-8,12,14-20,32,35-37H,4-5,26H2,1H3,(H,29,40)(H,30,39)(H,33,34)(H,41,42)(H2,28,31,38,43)/t8-,12-,14-,15-,16-,17?,18?,19?,20?/m0/s1
    • InChI Key： ZWCOQJINVKEJCM-RXFLJLMGSA-N
    • SMILES： O1C(C2=CNC(NC2=O)=O)C(C(C1[C@@H](C(N[C@H](C(=O)O)CCC(=O)O)=O)NC([C@H]([C@H](C)[C@@H](C1C=CC(=CN=1)O)O)N)=O)O)O

Computed Properties

  • Exact Mass: 624.20286
  • Monoisotopic Mass: 624.20273510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 13
  • Complexity: 1170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.9
  • Topological Polar Surface Area: 320?2

Experimental Properties

  • PSA: 320.06

L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-L-allonoyl- Related Literature

Related Categories

120796-22-7 (L-Glutamic acid,(3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-L-allonoyl-) Related Products

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