 Home > Encyclopedia > (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide structure

CAS No:
150323-38-9
Formula:
C30H42N4O5
Chemical Name:
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide
Synonyms:
indinavir penultimate; (2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide; (1S,2R,2'R,4'S,2"S)-1-((2-benzyl-5-(((2-(t-butyl)amino)carbonyl)piperazin-1-yl)-4-hydroxypentanoyl)amino)indan-2-ol; Des-3-pyridylmethyl Indinavir; 2,3,5-Trideoxy-N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-5-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinyl]-2-(phenylmethyl)-D-erythro-pentonamide; N-(2(R)-hydroxy-1(S)-indanyl)-2(R)-phenylmethyl-4(S)-hydroxy-5-(1-(2(S)-N-(tert-butylcarboxamido)piperazinyl))pentanamide; [14C]-N-Dealkyl Indinavir;Expand

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(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide Basic Attributes

Molecular Weight：

538.67800

Exact Mass：

522.32060583

UNII：

98N2VRY18Z

Characteristics

PSA：

123.16000

XLogP3：

3.17530

Density：

1.22g/cm3

Boiling Point：

814.7ºC

Flash Point：

446.5ºC

Refractive Index：

1.616

Vapor Pressure：

4.59E-28mmHg at 25°C

Computed Properties

Molecular Weight:522.7
XLogP3:1.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:522.32060583
Monoisotopic Mass:522.32060583
Topological Polar Surface Area:114
Heavy Atom Count:38
Complexity:781
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide

Basic Attributes
Characteristics
Computed Properties

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