Cas no 122548-04-3 (L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI))

L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI) structure
122548-04-3 structure
Product Name:L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI)
CAS No:122548-04-3
MF:C29H32BrN7O6
MW:654.511685371399
CID:188881
PubChem ID:6444161
Update Time:2025-04-19

L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI)
    • (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide
    • halocyamine B
    • L-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-((1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)-
    • L-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-(2-(6-bromo-1H-indol-3-yl)ethenyl)-, (Z)-
    • N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S,3R)-2-amino-3-hydroxybutanoyl]-Nalpha-[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]-L-histidinamide
    • Threonyl-6,7-dihydroxyphenylalanyl-histidyl-6-bromo-8,9-didehydrotryptamine
    • 122548-04-3
    • Inchi： 1S/C29H32BrN7O6/c1-15(38)26(32)29(43)37(27(41)21(31)8-16-2-5-24(39)25(40)9-16)28(42)23(11-19-13-33-14-36-19)34-7-6-17-12-35-22-10-18(30)3-4-20(17)22/h2-7,9-10,12-15,21,23,26,34-35,38-40H,8,11,31-32H2,1H3,(H,33,36)/b7-6-/t15-,21+,23+,26+/m1/s1
    • InChI Key： AOYPXEUCIFBDES-IKEBQYQCSA-N
    • SMILES： BrC1C=CC2=C(C=1)NC=C2/C=C\N[C@H](C(N(C([C@H]([C@@H](C)O)N)=O)C([C@H](CC1C=CC(=C(C=1)O)O)N)=O)=O)CC1=CN=CN1

Computed Properties

  • Exact Mass: 651.1443
  • Monoisotopic Mass: 653.15974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 11
  • Complexity: 1010
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 224?2

Experimental Properties

  • PSA: 217.88

L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI) Related Literature

Related Categories

122548-04-3 (L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI)) Related Products

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