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23361-28-6 | L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-
CAS No: 23361-28-6 Catalog No: AG002MZ6 MDL No:MFCD00076997
Product Description
Catalog Number:
AG002MZ6
Chemical Name:
L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-
CAS Number:
23361-28-6
Molecular Formula:
C15H26N2O5
Molecular Weight:
314.3773
MDL Number:
MFCD00076997
IUPAC Name:
(2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C15H26N2O5/c1-9(2)11(16-14(21)22-15(3,4)5)12(18)17-8-6-7-10(17)13(19)20/h9-11H,6-8H2,1-5H3,(H,16,21)(H,19,20)/t10-,11-/m0/s1
InChI Key:
VUYWLCHFKCFCNH-QWRGUYRKSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
314.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.382g/mol
Monoisotopic Mass:
314.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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