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88500-63-4 | L-Proline, 1-[1-[N-[bis(phenylmethoxy)phosphinyl]-L-methionyl]-L-prolyl]-
CAS No: 88500-63-4 Catalog No: AG00498G MDL No:
Product Description
Catalog Number:
AG00498G
Chemical Name:
L-Proline, 1-[1-[N-[bis(phenylmethoxy)phosphinyl]-L-methionyl]-L-prolyl]-
CAS Number:
88500-63-4
Molecular Formula:
C29H38N3O7PS
Molecular Weight:
603.6667
IUPAC Name:
1-[1-[2-[bis(phenylmethoxy)phosphorylamino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C29H38N3O7PS/c1-41-19-16-24(27(33)31-17-8-14-25(31)28(34)32-18-9-15-26(32)29(35)36)30-40(37,38-20-22-10-4-2-5-11-22)39-21-23-12-6-3-7-13-23/h2-7,10-13,24-26H,8-9,14-21H2,1H3,(H,30,37)(H,35,36)
InChI Key:
ZNIGJTIBOBKYDS-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)NP(=O)(OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
902
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
603.217g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
603.671g/mol
Monoisotopic Mass:
603.217g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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