2,4,7,12-Tetraazatridecan-13-oic acid,10-hydroxy-1-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester,[5S-(5R*,8R*,10R*,11R*)]-


Chemical Name: 2,4,7,12-Tetraazatridecan-13-oic acid,10-hydroxy-1-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester,[5S-(5R*,8R*,10R*,11R*)]-
CAS Number: 176655-56-4
Product Number: AG00ADUS(AGN-PC-0QAYXK)
Synonyms:
MDL No:
Molecular Formula: C37H48N6O6S2
Molecular Weight: 736.94362

Identification/Properties


Computed Properties
Molecular Weight:
736.947g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
18
Exact Mass:
736.308g/mol
Monoisotopic Mass:
736.308g/mol
Topological Polar Surface Area:
223A^2
Heavy Atom Count:
51
Formal Charge:
0
Complexity:
1090
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


Other Analytical Data


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