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145484-45-3 | 1-Pyrrolidineacetic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-(2-methylpropyl)-2-oxo-, (αS,3R)-
CAS No: 145484-45-3 Catalog No: AG001D3N MDL No:MFCD11226798
Product Description
Catalog Number:
AG001D3N
Chemical Name:
1-Pyrrolidineacetic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-(2-methylpropyl)-2-oxo-, (αS,3R)-
CAS Number:
145484-45-3
Molecular Formula:
C25H28N2O5
Molecular Weight:
436.5002
MDL Number:
MFCD11226798
IUPAC Name:
(2S)-2-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
InChI:
InChI=1S/C25H28N2O5/c1-15(2)13-22(24(29)30)27-12-11-21(23(27)28)26-25(31)32-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-22H,11-14H2,1-2H3,(H,26,31)(H,29,30)/t21-,22+/m1/s1
InChI Key:
MPIWMZZNSZSFPD-YADHBBJMSA-N
SMILES:
CC(C[C@H](N1CC[C@H](C1=O)NC(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O)C
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
436.2g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.508g/mol
Monoisotopic Mass:
436.2g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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