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204321-85-7 | L-Proline, 1-benzoyl-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (4S)-
CAS No: 204321-85-7 Catalog No: AG0029F5 MDL No:MFCD00673784
Product Description
Catalog Number:
AG0029F5
Chemical Name:
L-Proline, 1-benzoyl-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (4S)-
CAS Number:
204321-85-7
Molecular Formula:
C27H24N2O5
Molecular Weight:
456.4899
MDL Number:
MFCD00673784
IUPAC Name:
(2S,4S)-1-benzoyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C27H24N2O5/c30-25(17-8-2-1-3-9-17)29-15-18(14-24(29)26(31)32)28-27(33)34-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16H2,(H,28,33)(H,31,32)/t18-,24-/m0/s1
InChI Key:
YTWZZGPYBGALGM-UUOWRZLLSA-N
SMILES:
O=C(N[C@@H]1CN([C@@H](C1)C(=O)O)C(=O)c1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
456.169g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.498g/mol
Monoisotopic Mass:
456.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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