 Home > Encyclopedia > benzyl N-[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

benzyl N-[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

benzyl N-[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate structure

CAS No:
127749-93-3
Formula:
C37H54N6O7
Chemical Name:
benzyl N-[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Synonyms:
BzOCAsnPhe(CHOHCH2)ProIleNHiBu;127749-93-3;BzOCAsnPhe[CHOHCH2]ProIleNHiBu;Benzyloxycarbonyl-AsnPhe(hydroxyethyl)ProIsoleucine-isobutylamide;L-Isoleucinamide, 1-((2R,3S)-3-(((2S)-4-amino-1,4-dioxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl-N-(2-methylpropyl)-;Benzyloxycarbonyl-AsnPhe[hydroxyethyl]ProIsoleucine-isobutylamide;L-Isoleucinamide, 1-[(2R,3S)-3-[[(2S)-4-amino-1,4-dioxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-L-prolyl-N-(2-methylpropyl)-;DTXSID50925976;2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N~1~-(3-hydroxy-4-{2-[hydroxy({1-hydroxy-3-methyl-1-[(2-methylpropyl)imino]pentan-2-yl}imino)methyl]pyrrolidin-1-yl}-1-phenylbutan-2-yl)butanediimidic acid;benzyl N-[(1S)-3-amino-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-[(2S)-2-[[(1S)-1-(isobutylcarbamoyl)-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]propyl]carbamoyl]-3-oxo-propyl]carbamate

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benzyl N-[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate Basic Attributes

Molecular Weight：

694.9 g/mol

Exact Mass：

694.40539808 g/mol

Characteristics

PSA：

192 Å²

Computed Properties

Molecular Weight:694.9
XLogP3:3.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:20
Exact Mass:694.40539808
Monoisotopic Mass:694.40539808
Topological Polar Surface Area:192
Heavy Atom Count:50
Complexity:1090
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of benzyl N-[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

Basic Attributes
Characteristics
Computed Properties
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