147318-81-8
KYNOSTATIN 272
Name
KYNOSTATIN 272
Formula
C33 H41 N5 O6 S2
MolWeight
667.848
1Identification
【Name】
KYNOSTATIN 272
【CAS】
【MDL】
MFCD00913222
【English Synonyms】
【Formula】
C33 H41 N5 O6 S2
【MolWeight】
667.848
【Inchi】
InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1
【InChIKey】
InChIKey=NJBBLOIWMSYVCQ-VZTVMPNDSA-N
【SMILES】
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
KYNOSTATIN 272.cml
Quick Release
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