L-Valine,N-[(3S,4E)-3-hydroxy-7-mercapto-1-oxo-4-heptenyl]-D-valyl-D-cysteinyl-(2Z)-2-amino-2-butenoyl-, (4?1)-lactone, cyclic (1?2)-disulfide


Chemical Name: L-Valine,N-[(3S,4E)-3-hydroxy-7-mercapto-1-oxo-4-heptenyl]-D-valyl-D-cysteinyl-(2Z)-2-amino-2-butenoyl-, (4?1)-lactone, cyclic (1?2)-disulfide
CAS Number: 128517-07-7
Product Number: AG000Y5C(AGN-PC-0PIT3M)
Synonyms:
MDL No: MFCD18433404
Molecular Formula: C24H36N4O6S2
Molecular Weight: 540.6958

Identification/Properties


Computed Properties
Molecular Weight:
540.694g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
540.208g/mol
Monoisotopic Mass:
540.208g/mol
Topological Polar Surface Area:
193A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
905
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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