 Home > Encyclopedia > (2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide

(2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide

(2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide structure

CAS No:
158198-48-2
Formula:
C36H38N4O6
Chemical Name:
(2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide
Synonyms:
(N-(2,2-diphenylethyl)glycyl)-(N-(3,4-(methylenedioxy)benzyl)glycyl)-N-(2-(4-hydroxyphenyl)ethyl)glycinamide;CHIR 4531;CHIR-4531;Chir 4531;158198-48-2;Glycinamide, N-(2,2-diphenylethyl)glycyl-N-(1,3-benzodioxol-5-ylmethyl)glycyl-N2-(2-(4-hydroxyphenyl)ethyl)-;DTXSID90166381;(2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide;(N-(2,2-Diphenylethyl)glycyl)-(N-(3,4-(methylenedioxy)benzyl)glycyl)-N-(2-(4-hydroxyphenyl)ethyl)glycinamide;N-(2,2-Diphenylethyl)glycyl-N-(1,3-benzodioxol-5-ylmethyl)glycyl-N2-(2-(4-hydroxyphenyl)ethyl)glycinamide

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(2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide Basic Attributes

Molecular Weight：

622.7 g/mol

Exact Mass：

622.27913494 g/mol

DSSTox ID：

DTXSID90166381

Characteristics

PSA：

148 Å²

Drug Information

MeSH Entry Terms：

(N-(2,2-diphenylethyl)glycyl)-(N-(3,4-(methylenedioxy)benzyl)glycyl)-N-(2-(4-hydroxyphenyl)ethyl)glycinamide

Computed Properties

Molecular Weight:622.7
XLogP3:4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:14
Exact Mass:622.27913494
Monoisotopic Mass:622.27913494
Topological Polar Surface Area:148
Heavy Atom Count:46
Complexity:960
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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