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159926-84-8 | L-Glutamine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 159926-84-8 Catalog No: AG001RIW MDL No:
Product Description
Catalog Number:
AG001RIW
Chemical Name:
L-Glutamine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
159926-84-8
Molecular Formula:
C30H34N2O5
Molecular Weight:
502.6014
IUPAC Name:
(2S)-5-(1-adamantylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
InChI:
InChI=1S/C30H34N2O5/c33-27(32-30-14-18-11-19(15-30)13-20(12-18)16-30)10-9-26(28(34)35)31-29(36)37-17-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,18-20,25-26H,9-17H2,(H,31,36)(H,32,33)(H,34,35)/t18?,19?,20?,26-,30?/m0/s1
InChI Key:
GOKNAFJRMIESED-GTUSSPTASA-N
SMILES:
NC(=O)CC[C@H](N(C12CC3CC(C2)CC(C1)C3)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O
Properties
Complexity:
826
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
502.247g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
502.611g/mol
Monoisotopic Mass:
502.247g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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