64704-41-2
GRANULIBERIN R
Name
GRANULIBERIN R
pro_formula
C69 H103 N19 O14
pro_molWeight
1422.69
1Identification
【Name】
GRANULIBERIN R
【CAS】
【MDL】
MFCD00080191
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C69 H103 N19 O14
【pro_molWeight】
1422.69
【Inchi】
InChI=1S/C69H103N19O14/c1-6-40(4)56(86-64(99)54-24-16-32-88(54)67(102)51(33-39(2)3)84-61(96)49(35-43-19-11-8-12-20-43)80-55(91)37-78-59(94)46(70)34-42-17-9-7-10-18-42)65(100)83-50(36-44-25-27-45(90)28-26-44)62(97)81-47(21-13-29-76-68(72)73)60(95)82-48(22-14-30-77-69(74)75)66(101)87-31-15-23-53(87)63(98)79-41(5)58(93)85-52(38-89)57(71)92/h7-12,17-20,25-28,39-41,46-54,56,89-90H,6,13-16,21-24,29-38,70H2,1-5H3,(H2,71,92)(H,78,94)(H,79,98)(H,80,91)(H,81,97)(H,82,95)(H,83,100)(H,84,96)(H,85,93)(H,86,99)(H4,72,73,76)(H4,74,75,77)/t40-,41-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1
【InChIKey】
InChIKey=IQNSWGKGZHMSIZ-VIGXZVJLSA-N
【SMILES】
CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)[C@H](Cc5ccccc5)N
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:19
pro_acceptors:33
XLogP3:-9.0
Bulk/Fine:F
3MaterialMSDS
【secure_wgk_germany】
3
4CMLFile
GRANULIBERIN R.cml
quick_release
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pro_catalogNo:64704-41-2 up to kgs
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Kingston Chemistry
pro_catalogNo:KST-B6589 1G
CountryRegion:US
BusinessType:Others
http://www.kingstonchem.com
ACC Corporation
pro_catalogNo:PEP0001651 2MG
pro_catalogNo:PEP0009276 5MG
pro_catalogNo:PEP0001651 1MG
pro_catalogNo:PEP0001651 5MG
CountryRegion:US
BusinessType:Others
http://www.acccorporation.com
GenScript Corporation
pro_catalogNo:RP10459 1MG
CountryRegion:US
BusinessType:Others
http://www.genscript.com
AnaSpec, Inc.
pro_catalogNo:62856 1MG
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BusinessType:Others
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