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FMoc-Val-Cit-PAB-PNP

FMoc-Val-Cit-PAB-PNP structure

CAS No:
863971-53-3
Formula:
C40H42N6O10
Chemical Name:
FMoc-Val-Cit-PAB-PNP
Synonyms:
{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate;Moc-Val-Cit-PAB-PNP;4-[[(2S)-1-amino-5-(carbamoylamino)-1-oxopentan-2-yl]-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate;Fmoc-Val-Cit-PAB-PNP, >95%;FMOC-VAL-CIT-PAB-PNP, >95%;FMoc-Val-Cit-PAB-PNP;(9H-fluoren-9-yl)methyl ((S)-3-methyl-1-(((S)-1-((4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-1-oxobutan-2-yl)carbamate;L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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FMoc-Val-Cit-PAB-PNP Basic Attributes

Molecular Weight：

766.8

Exact Mass：

766.296

Characteristics

PSA：

233.00000

XLogP3：

8.21470

Density：

1.335±0.06 g/cm3

Melting Point：

189 °C(dec.)

Boiling Point：

1024.0±65.0 °C(Predicted)

PKA：

10.63±0.46

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:766.8
XLogP3:5.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:18
Exact Mass:766.29624156
Monoisotopic Mass:766.29624156
Topological Polar Surface Area:233
Heavy Atom Count:56
Complexity:1320
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

159858-21-6

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863971-53-3

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Fmoc-Val-Cit-PAB-PNP

CAS No.: 863971-53-3

Content: 99.00%

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Hangzhou Zentra Bio-Chemical Co., Ltd. Contact Supplier

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(9H-fluoren-9-yl)methyl ((S)-3-methyl-1-(((S)-1-((4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-1-oxobutan-2-yl)carbamate

CAS No.: 863971-53-3

Grade: Pharmaceutical Grade

Content: 95%

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