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Home > Fluorides > 161220-53-7
161220-53-7 | L-Proline, 1-[N-[N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl]-L-alanyl]- (9CI)
CAS No: 161220-53-7 Catalog No: AG001S9M MDL No:MFCD01862421
Product Description
Catalog Number:
AG001S9M
Chemical Name:
L-Proline, 1-[N-[N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl]-L-alanyl]- (9CI)
CAS Number:
161220-53-7
Molecular Formula:
C26H29N3O6
Molecular Weight:
479.5250
MDL Number:
MFCD01862421
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C26H29N3O6/c1-15(23(30)27-16(2)24(31)29-13-7-12-22(29)25(32)33)28-26(34)35-14-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,15-16,21-22H,7,12-14H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,16-,22-/m0/s1
InChI Key:
BEUOECKRMVYVFQ-WCJKSRRJSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
479.206g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
479.533g/mol
Monoisotopic Mass:
479.206g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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