Cas no 78512-63-7 (Lysinamide,glycyl-6-carboxy-N6-[N-(1-oxododecyl)-L-alanyl-D-g-glutamyl]-, (R*,R*)- (9CI))

Lysinamide,glycyl-6-carboxy-N6-[N-(1-oxododecyl)-L-alanyl-D-g-glutamyl]-, (R*,R*)- (9CI) structure
78512-63-7 structure
Product Name:Lysinamide,glycyl-6-carboxy-N6-[N-(1-oxododecyl)-L-alanyl-D-g-glutamyl]-, (R*,R*)- (9CI)
CAS No:78512-63-7
MF:C29H52N6O9
MW:628.757987976074
CID:566438
PubChem ID:70697634
Update Time:2025-04-19

Lysinamide,glycyl-6-carboxy-N6-[N-(1-oxododecyl)-L-alanyl-D-g-glutamyl]-, (R*,R*)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Lysinamide,glycyl-6-carboxy-N6-[N-(1-oxododecyl)-L-alanyl-D-g-glutamyl]-, (R*,R*)- (9CI)
    • 7-amino-6-[(2-aminoacetyl)amino]-2-[[4-carboxy-4-[2-(dodecanoylamino)propanoylamino]butanoyl]amino]-7-oxoheptanoic acid
    • DL-Lysinamide, glycyl-6-carboxy-N(sup 6)-(N-(N-(1-oxododecyl)-L-alanyl)-D-gamma-glutamyl)-, (R*,R*)-
    • N-dodecanoylalanyl-N-[6-amino-1-carboxy-5-(glycylamino)-6-oxohexyl]glutamine
    • Pimelautida
    • Pimelautida [Spanish]
    • Pimelautide [INN]
    • Pimelautidum
    • Pimelautidum [Latin]
    • RP 40639
    • threo-6-Carbamoyl-N(sup 2)-(N-(N-lauroyl-L-alanyl)-D-gamma-glutamyl)-N(sup 6)-glycyl-DL-lysine
    • UNII-O9643CJL3T
    • CHEMBL3989437
    • O9643CJL3T
    • Pimelautide
    • Q27285504
    • THREO-6-CARBAMOYL-N(SUP 2)-(N-(N-LAUROYL-L-ALANYL)-D-.GAMMA.-GLUTAMYL)-N(SUP 6)-GLYCYL-DL-LYSINE
    • 78512-63-7
    • Inchi： 1S/C29H52N6O9/c1-3-4-5-6-7-8-9-10-11-15-23(36)32-19(2)27(40)35-22(29(43)44)16-17-24(37)34-21(28(41)42)14-12-13-20(26(31)39)33-25(38)18-30/h19-22H,3-18,30H2,1-2H3,(H2,31,39)(H,32,36)(H,33,38)(H,34,37)(H,35,40)(H,41,42)(H,43,44)/t19-,20?,21?,22+/m0/s1
    • InChI Key： BGGBQBAMDUCKFN-ZGJBTBESSA-N
    • SMILES： OC(C(CCCC(C(N)=O)NC(CN)=O)NC(CC[C@H](C(=O)O)NC([C@H](C)NC(CCCCCCCCCCC)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 628.38000
  • Monoisotopic Mass: 628.37957726g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 26
  • Complexity: 946
  • 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
  • Surface Charge: 0
  • Tautomer Count: 48
  • XLogP3: -0.5
  • Topological Polar Surface Area: 260?2

Experimental Properties

  • PSA: 260.11000
  • LogP: 3.39430

Lysinamide,glycyl-6-carboxy-N6-[N-(1-oxododecyl)-L-alanyl-D-g-glutamyl]-, (R*,R*)- (9CI) Related Literature

78512-63-7 (Lysinamide,glycyl-6-carboxy-N6-[N-(1-oxododecyl)-L-alanyl-D-g-glutamyl]-, (R*,R*)- (9CI)) Related Products

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