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146621-94-5 | L-Proline, (2R)-2-cyclohexyl-N-[(1,1-dimethylethoxy)carbonyl]glycyl-
CAS No: 146621-94-5 Catalog No: AG001E6U MDL No:
Product Description
Catalog Number:
AG001E6U
Chemical Name:
L-Proline, (2R)-2-cyclohexyl-N-[(1,1-dimethylethoxy)carbonyl]glycyl-
CAS Number:
146621-94-5
Molecular Formula:
C18H30N2O5
Molecular Weight:
354.4412
IUPAC Name:
(2S)-1-[(2R)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H30N2O5/c1-18(2,3)25-17(24)19-14(12-8-5-4-6-9-12)15(21)20-11-7-10-13(20)16(22)23/h12-14H,4-11H2,1-3H3,(H,19,24)(H,22,23)/t13-,14+/m0/s1
InChI Key:
GXJFWLZSFRQBML-UONOGXRCSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)N1CCC[C@H]1C(=O)O)C1CCCCC1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
354.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.447g/mol
Monoisotopic Mass:
354.215g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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