 Home > Encyclopedia > (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-quinolin-8-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide

(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-quinolin-8-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide

(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-quinolin-8-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide structure

CAS No:
169168-47-2
Formula:
C36H47N5O6S2
Chemical Name:
(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-quinolin-8-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide

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(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-quinolin-8-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide Basic Attributes

Molecular Weight：

709.91800

Exact Mass：

709.29677658 g/mol

DSSTox ID：

DTXSID00168674

Characteristics

PSA：

201.95000

XLogP3：

6.25190

Density：

1.27g/cm3

Boiling Point：

1035.7ºC at 760mmHg

Flash Point：

580.2ºC

Refractive Index：

1.608

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:709.9
XLogP3:3.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:709.29677658
Monoisotopic Mass:709.29677658
Topological Polar Surface Area:192
Heavy Atom Count:49
Complexity:1250
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-quinolin-8-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide

Basic Attributes
Characteristics
Computed Properties

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