Home Carbonyls (3S)-3-(1,3-dioxaindan-5-yl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(3S)-3-(1,3-dioxaindan-5-yl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS No.:
1260608-23-8
Catalog Number:
AG01EKEY
Molecular Formula:
C25H21NO6
Molecular Weight:
431.4373
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Product Description
Catalog Number:
AG01EKEY
Chemical Name:
(3S)-3-(1,3-dioxaindan-5-yl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
CAS Number:
1260608-23-8
Molecular Formula:
C25H21NO6
Molecular Weight:
431.4373
MDL Number:
MFCD04114044
IUPAC Name:
(3S)-3-(1,3-benzodioxol-5-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C25H21NO6/c27-24(28)12-21(15-9-10-22-23(11-15)32-14-31-22)26-25(29)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20-21H,12-14H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChI Key:
LEQQCUYJHOCYJF-NRFANRHFSA-N
SMILES:
OC(=O)C[C@@H](c1ccc2c(c1)OCO2)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
663  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
431.137g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
431.444g/mol
Monoisotopic Mass:
431.137g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties