 Home > Encyclopedia > propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate

propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate

propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate structure

CAS No:
119625-78-4
Formula:
C31H48N4O7S
Chemical Name:
propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate
Synonyms:
Terlakiren (USAN/INN); MOR-PHE-CYM-NOR; 2ZS; N-(Morpholin-4-Ylcarbonyl)-L-Phenylalanyl-N-[(1r,2s)-1-(Cyclohexylmethyl)-2-Hydroxy-3-(1-Methylethoxy)-3-Oxopropyl]-S-Methyl-L-Cysteinamide; [R-(R*,S*)]-N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-[1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-(S)-methyl-L-cysteineamide;

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Description

Terlakiren is a peptide.

propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate Basic Attributes

Molecular Weight：

620.80000

Exact Mass：

620.32437106 g/mol

UNII：

E5H9IP637W

DSSTox ID：

DTXSID00152533

Characteristics

PSA：

171.60000

XLogP3：

3.36560

Density：

1.205g/cm3

Boiling Point：

908.3ºC

Flash Point：

503.1ºC

Refractive Index：

1.554

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

CP 80,794

Computed Properties

Molecular Weight:620.8
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:620.32437106
Monoisotopic Mass:620.32437106
Topological Polar Surface Area:172
Heavy Atom Count:43
Complexity:889
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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