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N-[1-(2-carbamothioylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

N-[1-(2-carbamothioylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide structure

CAS No:
99933-27-4
Formula:
C16H22N6O3S
Chemical Name:
N-[1-(2-carbamothioylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Synonyms:
Pglu-his-pro-TA; L-pyroglutamyl-L-histydyl-L-proline thioamide; L-pyroglutamyl-L-histidyl-L-proline thioamide; Pyroglutamyl-histidyl-proline thioamide;

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N-[1-(2-carbamothioylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide Basic Attributes

Molecular Weight：

378.44900

Exact Mass：

378.14740976

Characteristics

PSA：

176.82000

XLogP3：

0.76750

Density：

1.44g/cm3

Refractive Index：

1.653

Drug Information

MeSH Entry Terms：

pGlu-His-Pro-TA

Computed Properties

Molecular Weight:378.5
XLogP3:-1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:378.14740976
Monoisotopic Mass:378.14740976
Topological Polar Surface Area:165
Heavy Atom Count:26
Complexity:601
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[1-(2-carbamothioylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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