 Home > Encyclopedia > benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate

benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate

benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate structure

CAS No:
133038-85-4
Formula:
C44H50F2N4O7
Chemical Name:
benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate
Synonyms:
2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, (3S-(3R*,6R*,9R*,12R*))-;2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, [3S-(3R*,6R*,9R*,12R*)]-;CTK4B8300;DTXSID70157914;2,5,10,13-Tetraazatetradecanedioicacid,7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-,bis(phenylmethyl) ester, [3S-(3R*,6R*,9R*,12R*)]- (9CI);benzyl N-[(1S)-1-[[(1S,4S)-1-benzyl-4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2,2-difluoro-3-oxo-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]carbamate

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benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate Basic Attributes

Molecular Weight：

784.902

Exact Mass：

784.365

DSSTox ID：

DTXSID70157914

Characteristics

PSA：

152

XLogP3：

8.5

Density：

1.210±0.06 g/cm3(Predicted)

Boiling Point：

958.4±65.0 °C(Predicted)

Computed Properties

Molecular Weight:784.9
XLogP3:8.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:21
Exact Mass:784.36475627
Monoisotopic Mass:784.36475627
Topological Polar Surface Area:152
Heavy Atom Count:57
Complexity:1270
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate

Basic Attributes
Characteristics
Computed Properties

benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate

SDS

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