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88500-32-7 | L-Alanine, N-[1-[N-[bis(phenylmethoxy)phosphinyl]-L-alanyl]-L-prolyl]-
CAS No: 88500-32-7 Catalog No: AG0049GF MDL No:
Product Description
Catalog Number:
AG0049GF
Chemical Name:
L-Alanine, N-[1-[N-[bis(phenylmethoxy)phosphinyl]-L-alanyl]-L-prolyl]-
CAS Number:
88500-32-7
Molecular Formula:
C25H32N3O7P
Molecular Weight:
517.5112
IUPAC Name:
2-[[1-[2-[bis(phenylmethoxy)phosphorylamino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C25H32N3O7P/c1-18(24(30)28-15-9-14-22(28)23(29)26-19(2)25(31)32)27-36(33,34-16-20-10-5-3-6-11-20)35-17-21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3,(H,26,29)(H,27,33)(H,31,32)
InChI Key:
OLOQFEOLIWXTRU-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NP(=O)(OCc1ccccc1)OCc1ccccc1)C)C
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.198g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
517.519g/mol
Monoisotopic Mass:
517.198g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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