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tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate structure

CAS No:
148914-46-9
Formula:
C19H27N3O4
Chemical Name:
tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms:
N-Butyloxycarbonyl-phenylalanyl-dehydroaminobutyryl-NH-CH3; N-Bpda; N-Boc-L-phe-dehydro-abu-NH-CH3;

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tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Basic Attributes

Molecular Weight：

361.43500

Exact Mass：

361.20015635

Characteristics

PSA：

107.00000

XLogP3：

3.77340

Density：

1.123g/cm3

Boiling Point：

643.6ºC at 760mmHg

Flash Point：

343ºC

Refractive Index：

1.528

Vapor Pressure：

1.87E-16mmHg at 25°C

Drug Information

MeSH Entry Terms：

N-Boc-L-Phe-dehydro-Abu-NH-CH3

Computed Properties

Molecular Weight:361.4
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:361.20015635
Monoisotopic Mass:361.20015635
Topological Polar Surface Area:96.5
Heavy Atom Count:26
Complexity:531
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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