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89226-44-8 | L-Proline, 1-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-seryl]-L-phenylalanyl]-
CAS No: 89226-44-8 Catalog No: AG00436R MDL No:
Product Description
Catalog Number:
AG00436R
Chemical Name:
L-Proline, 1-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-seryl]-L-phenylalanyl]-
CAS Number:
89226-44-8
Molecular Formula:
C22H31N3O7
Molecular Weight:
449.4974
IUPAC Name:
1-[2-[[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C22H31N3O7/c1-22(2,3)32-21(31)24-16(13-26)18(27)23-15(12-14-8-5-4-6-9-14)19(28)25-11-7-10-17(25)20(29)30/h4-6,8-9,15-17,26H,7,10-13H2,1-3H3,(H,23,27)(H,24,31)(H,29,30)
InChI Key:
QPOITVFTIGAKEM-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.216g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
449.504g/mol
Monoisotopic Mass:
449.216g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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