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1438805-07-2

1438805-07-2 | 1H-Indole-1-propanoic acid, 2-[[2-[(9H-fluoren-9-ylmethoxy)carbonyl]-1,2-dimethylhydrazinyl]methyl]-

CAS No: 1438805-07-2 Catalog No: AG001IJ9 MDL No:

Product Description

Catalog Number:
AG001IJ9
Chemical Name:
1H-Indole-1-propanoic acid, 2-[[2-[(9H-fluoren-9-ylmethoxy)carbonyl]-1,2-dimethylhydrazinyl]methyl]-
CAS Number:
1438805-07-2
Molecular Formula:
C29H29N3O4
Molecular Weight:
483.5583
IUPAC Name:
3-[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]indol-1-yl]propanoic acid
InChI:
InChI=1S/C29H29N3O4/c1-30(18-21-17-20-9-3-8-14-27(20)32(21)16-15-28(33)34)31(2)29(35)36-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h3-14,17,26H,15-16,18-19H2,1-2H3,(H,33,34)
InChI Key:
KSKWJZHTCMWUSR-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c(CN(N(C(=O)OCC2c3ccccc3c3c2cccc3)C)C)cc2c1cccc2

Properties

Complexity:
756  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.216g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
483.568g/mol
Monoisotopic Mass:
483.216g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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