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607366-21-2

607366-21-2 | (2S)-4-[[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid

CAS No: 607366-21-2 Catalog No: AG0038LX MDL No:MFCD01631660

Product Description

Catalog Number:
AG0038LX
Chemical Name:
(2S)-4-[[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid
CAS Number:
607366-21-2
Molecular Formula:
C32H38N2O6
Molecular Weight:
546.6539
MDL Number:
MFCD01631660
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]butanoic acid
InChI:
InChI=1S/C32H38N2O6/c1-19(2)15-26(29-27(35)16-32(3,4)17-28(29)36)33-14-13-25(30(37)38)34-31(39)40-18-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,19,24-25,35H,13-18H2,1-4H3,(H,34,39)(H,37,38)/t25-/m0/s1
InChI Key:
IMMMALLSYWTSAX-VWLOTQADSA-N
SMILES:
CC(CC(=C1C(=O)CC(CC1=O)(C)C)NCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C

Properties

Complexity:
993  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
546.273g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
546.664g/mol
Monoisotopic Mass:
546.273g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  

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