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Home > Fluorides > 114479-45-7
114479-45-7 | D-Phenylalanine, N-[N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-leucyl]- (9CI)
CAS No: 114479-45-7 Catalog No: AG000EI6 MDL No:
Product Description
Catalog Number:
AG000EI6
Chemical Name:
D-Phenylalanine, N-[N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-leucyl]- (9CI)
CAS Number:
114479-45-7
Molecular Formula:
C30H32N2O5
Molecular Weight:
500.5855
IUPAC Name:
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C30H32N2O5/c1-19(2)16-26(28(33)31-27(29(34)35)17-20-10-4-3-5-11-20)32-30(36)37-18-25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h3-15,19,25-27H,16-18H2,1-2H3,(H,31,33)(H,32,36)(H,34,35)
InChI Key:
OULOILODKDQTAT-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@@H](C(=O)O)Cc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.231g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
500.595g/mol
Monoisotopic Mass:
500.231g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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