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88115-45-1 | L-Proline, 1-[N-[[bis(phenylmethoxy)phosphinyl]phenylmethyl]-L-alanyl]-
CAS No: 88115-45-1 Catalog No: AG004E4N MDL No:
Product Description
Catalog Number:
AG004E4N
Chemical Name:
L-Proline, 1-[N-[[bis(phenylmethoxy)phosphinyl]phenylmethyl]-L-alanyl]-
CAS Number:
88115-45-1
Molecular Formula:
C29H33N2O6P
Molecular Weight:
536.5559
IUPAC Name:
(2S)-1-[(2S)-2-[[bis(phenylmethoxy)phosphoryl-phenylmethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C29H33N2O6P/c1-22(28(32)31-19-11-18-26(31)29(33)34)30-27(25-16-9-4-10-17-25)38(35,36-20-23-12-5-2-6-13-23)37-21-24-14-7-3-8-15-24/h2-10,12-17,22,26-27,30H,11,18-21H2,1H3,(H,33,34)/t22-,26-,27?/m0/s1
InChI Key:
QYVZSNBAWYUYOO-MGPDQUCFSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(P(=O)(OCc1ccccc1)OCc1ccccc1)c1ccccc1)C
Properties
Complexity:
781
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
536.208g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
536.565g/mol
Monoisotopic Mass:
536.208g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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