Cas no 496051-77-5 (L-Aspartic acid, L-glutaminyl-L-lysylglycylglycyl-L-prolyl-L-seryl-)

L-Aspartic acid, L-glutaminyl-L-lysylglycylglycyl-L-prolyl-L-seryl- structure
496051-77-5 structure
Product Name:L-Aspartic acid, L-glutaminyl-L-lysylglycylglycyl-L-prolyl-L-seryl-
CAS No:496051-77-5
MF:C27H45N9O12
MW:687.699306249619
CID:1524919
Update Time:2024-08-24

L-Aspartic acid, L-glutaminyl-L-lysylglycylglycyl-L-prolyl-L-seryl- Chemical and Physical Properties

Names and Identifiers

    • L-Aspartic acid, L-glutaminyl-L-lysylglycylglycyl-L-prolyl-L-seryl-
    • L-Aspartic acid, L-glutaminyl-L-lysylglycylglycyl-L-prolyl-L-seryl- (9CI)
    • Inchi: 1S/C27H45N9O12/c28-8-2-1-4-15(33-23(43)14(29)6-7-19(30)38)24(44)32-11-20(39)31-12-21(40)36-9-3-5-18(36)26(46)35-17(13-37)25(45)34-16(27(47)48)10-22(41)42/h14-18,37H,1-13,28-29H2,(H2,30,38)(H,31,39)(H,32,44)(H,33,43)(H,34,45)(H,35,46)(H,41,42)(H,47,48)/t14-,15-,16-,17-,18-/m0/s1
    • InChI Key: UPWFKOSGGSEWCS-ATIWLJMLSA-N
    • SMILES: C(O)(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)N

Computed Properties

  • Exact Mass: 687.31905

Experimental Properties

  • Density: 1.418±0.06 g/cm3(Predicted)
  • Boiling Point: 1263.7±65.0 °C(Predicted)
  • PSA: 355.77
  • pka: 2.79±0.10(Predicted)
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