L-Valinamide,N-[(phenylmethoxy)carbonyl]-L-a-aspartyl-L-a-glutamyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-, dimethyl ester


Chemical Name: L-Valinamide,N-[(phenylmethoxy)carbonyl]-L-a-aspartyl-L-a-glutamyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-, dimethyl ester
CAS Number: 210344-95-9
Product Number: AG002KP1(AGN-PC-0QX7CQ)
Synonyms:
MDL No:
Molecular Formula: C30H41FN4O12
Molecular Weight: 668.6645

Identification/Properties


Computed Properties
Molecular Weight:
668.672g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
13
Rotatable Bond Count:
23
Exact Mass:
668.271g/mol
Monoisotopic Mass:
668.271g/mol
Topological Polar Surface Area:
222A^2
Heavy Atom Count:
47
Formal Charge:
0
Complexity:
1110
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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