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2488-24-6 | L-Serine, N-[(phenylmethoxy)carbonyl]-L-threonyl-, methyl ester (9CI)
CAS No: 2488-24-6 Catalog No: AG002PQH MDL No:
Product Description
Catalog Number:
AG002PQH
Chemical Name:
L-Serine, N-[(phenylmethoxy)carbonyl]-L-threonyl-, methyl ester (9CI)
CAS Number:
2488-24-6
Molecular Formula:
C16H22N2O7
Molecular Weight:
354.3551
IUPAC Name:
methyl (2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
InChI:
InChI=1S/C16H22N2O7/c1-10(20)13(14(21)17-12(8-19)15(22)24-2)18-16(23)25-9-11-6-4-3-5-7-11/h3-7,10,12-13,19-20H,8-9H2,1-2H3,(H,17,21)(H,18,23)/t10-,12+,13+/m1/s1
InChI Key:
IDASFPVEVXNEQY-WXHSDQCUSA-N
SMILES:
OC[C@@H](C(=O)OC)NC(=O)[C@H]([C@H](O)C)NC(=O)OCc1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
354.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
354.359g/mol
Monoisotopic Mass:
354.143g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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