Cas no 61230-27-1 (L-Histidine,N-[(1R,2S)-2-carboxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)-1-oxopropyl]amino]-1-methylethyl]-)

L-Histidine,N-[(1R,2S)-2-carboxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)-1-oxopropyl]amino]-1-methylethyl]- structure
61230-27-1 structure
Product Name:L-Histidine,N-[(1R,2S)-2-carboxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)-1-oxopropyl]amino]-1-methylethyl]-
CAS No:61230-27-1
MF:C17H25N7O5
MW:407.424302816391
CID:514977
PubChem ID:10409115
Update Time:2025-04-19

L-Histidine,N-[(1R,2S)-2-carboxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)-1-oxopropyl]amino]-1-methylethyl]- Chemical and Physical Properties

Names and Identifiers

    • L-Histidine,N-[(1R,2S)-2-carboxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)-1-oxopropyl]amino]-1-methylethyl]-
    • 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-methylamino]-3-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
    • feldamycin
    • N-{1-carboxy-1-[histidyl(methyl)amino]propan-2-yl}histidine
    • DTXSID50976741
    • GTPL10979
    • BMY 28565
    • 61230-27-1
    • 3-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-[[3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]butanoic acid
    • CHEBI:214374
    • BRN 0967992
    • Butanoic acid, N-methylhistidyl-beta-((1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-alpha-amino-
    • BMY-28565
    • Antibiotic U 48266
    • U-48266
    • BMY28565
    • 3-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}-2-{[1-hydroxy-3-(1H-imidazol-5-yl)-2-(methylamino)propylidene]amino}butanoate
    • 3-((1-carboxy-2-(1H-imidazol-5-yl)ethyl)amino)-2-((1-hydroxy-3-(1H-imidazol-5-yl)-2-(methylamino)propylidene)amino)butanoate
    • 3-((1-carboxy-2-(1H-imidazol-5-yl)ethyl)amino)-2-((3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl)amino)butanoic acid
    • Inchi： 1S/C17H25N7O5/c1-9(23-13(16(26)27)4-11-6-20-8-22-11)14(17(28)29)24-15(25)12(18-2)3-10-5-19-7-21-10/h5-9,12-14,18,23H,3-4H2,1-2H3,(H,19,21)(H,20,22)(H,24,25)(H,26,27)(H,28,29)
    • InChI Key： LUOBEJSTJAVJPL-UHFFFAOYSA-N
    • SMILES： OC(C(C(C)NC(C(=O)O)CC1=CN=CN1)NC(C(CC1=CN=CN1)NC)=O)=O

Computed Properties

  • Exact Mass: 407.19195
  • Monoisotopic Mass: 407.191717
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 11
  • Complexity: 593
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 190
  • XLogP3: -5.9

Experimental Properties

  • Density: 1.443
  • Boiling Point: 853°C at 760 mmHg
  • Flash Point: 469.7°C
  • Refractive Index: 1.633
  • PSA: 190.32

L-Histidine,N-[(1R,2S)-2-carboxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)-1-oxopropyl]amino]-1-methylethyl]- Related Literature

Related Categories

61230-27-1 (L-Histidine,N-[(1R,2S)-2-carboxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)-1-oxopropyl]amino]-1-methylethyl]-) Related Products

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