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1381790-25-5 | L-Phenylalanine, 4-(3,5-diMethyl-4-isoxazolyl)-N-[(9H-fluoren-9-ylMethoxy)carbonyl]-
CAS No: 1381790-25-5 Catalog No: AG00184G MDL No:
Product Description
Catalog Number:
AG00184G
Chemical Name:
L-Phenylalanine, 4-(3,5-diMethyl-4-isoxazolyl)-N-[(9H-fluoren-9-ylMethoxy)carbonyl]-
CAS Number:
1381790-25-5
Molecular Formula:
C29H26N2O5
Molecular Weight:
482.5271
IUPAC Name:
(2S)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C29H26N2O5/c1-17-27(18(2)36-31-17)20-13-11-19(12-14-20)15-26(28(32)33)30-29(34)35-16-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h3-14,25-26H,15-16H2,1-2H3,(H,30,34)(H,32,33)/t26-/m0/s1
InChI Key:
GRGGJSHXLHVROE-SANMLTNESA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)c1c(C)noc1C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
747
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
482.184g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
482.536g/mol
Monoisotopic Mass:
482.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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