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128422-17-3 | L-Proline, N-[(phenylmethoxy)carbonyl]-L-leucyl-2-methylalanyl- (9CI)
CAS No: 128422-17-3 Catalog No: AG000Y30 MDL No:
Product Description
Catalog Number:
AG000Y30
Chemical Name:
L-Proline, N-[(phenylmethoxy)carbonyl]-L-leucyl-2-methylalanyl- (9CI)
CAS Number:
128422-17-3
Molecular Formula:
C23H33N3O6
Molecular Weight:
447.5246
IUPAC Name:
1-[2-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C23H33N3O6/c1-15(2)13-17(24-22(31)32-14-16-9-6-5-7-10-16)19(27)25-23(3,4)21(30)26-12-8-11-18(26)20(28)29/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,24,31)(H,25,27)(H,28,29)
InChI Key:
PSFBCLGZYRSQMI-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)NC(C(=O)N1CCC[C@H]1C(=O)O)(C)C)NC(=O)OCc1ccccc1)C
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.237g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
447.532g/mol
Monoisotopic Mass:
447.237g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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