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204384-69-0 | Benzenebutanoic acid, 4-(1,1-dimethylethoxy)-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS No: 204384-69-0 Catalog No: AG0029GS MDL No:
Product Description
Catalog Number:
AG0029GS
Chemical Name:
Benzenebutanoic acid, 4-(1,1-dimethylethoxy)-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS Number:
204384-69-0
Molecular Formula:
C29H31NO5
Molecular Weight:
473.5601
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
InChI:
InChI=1S/C29H31NO5/c1-29(2,3)35-20-15-12-19(13-16-20)14-17-26(27(31)32)30-28(33)34-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-13,15-16,25-26H,14,17-18H2,1-3H3,(H,30,33)(H,31,32)/t26-/m0/s1
InChI Key:
FKUBPXDMQFEPGP-SANMLTNESA-N
SMILES:
O=C(N[C@H](C(=O)O)CCc1ccc(cc1)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
473.22g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
473.569g/mol
Monoisotopic Mass:
473.22g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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