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2873-37-2 | L-Leucine, 1-[(phenylmethoxy)carbonyl]-L-prolyl-, methyl ester
CAS No: 2873-37-2 Catalog No: AG002WAW MDL No:MFCD01862400
Product Description
Catalog Number:
AG002WAW
Chemical Name:
L-Leucine, 1-[(phenylmethoxy)carbonyl]-L-prolyl-, methyl ester
CAS Number:
2873-37-2
Molecular Formula:
C20H28N2O5
Molecular Weight:
376.4467
MDL Number:
MFCD01862400
IUPAC Name:
benzyl (2S)-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C20H28N2O5/c1-14(2)12-16(19(24)26-3)21-18(23)17-10-7-11-22(17)20(25)27-13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3,(H,21,23)/t16-,17-/m0/s1
InChI Key:
NCECLGUVJMKAPA-IRXDYDNUSA-N
SMILES:
COC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(C)C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
376.2g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.453g/mol
Monoisotopic Mass:
376.2g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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