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[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate structure

CAS No:
956354-95-3
Formula:
C22H23N3O5S
Chemical Name:
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Synonyms:
ZINC3286046;AKOS034826347;MCULE-9149726909;Z56895447;[(1,3-benzothiazol-2-yl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate;956354-95-3

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[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Basic Attributes

Molecular Weight：

441.5 g/mol

Exact Mass：

441.13584202 g/mol

Characteristics

PSA：

135 Å²

Computed Properties

Molecular Weight:441.5
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:441.13584202
Monoisotopic Mass:441.13584202
Topological Polar Surface Area:135
Heavy Atom Count:31
Complexity:626
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Basic Attributes
Characteristics
Computed Properties
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