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88500-23-6 | L-Tyrosine, N-[1-[N-[bis(phenylmethoxy)phosphinyl]-L-alanyl]-L-prolyl]-
CAS No: 88500-23-6 Catalog No: AG00498I MDL No:
Product Description
Catalog Number:
AG00498I
Chemical Name:
L-Tyrosine, N-[1-[N-[bis(phenylmethoxy)phosphinyl]-L-alanyl]-L-prolyl]-
CAS Number:
88500-23-6
Molecular Formula:
C31H36N3O8P
Molecular Weight:
609.6066
IUPAC Name:
2-[[1-[2-[bis(phenylmethoxy)phosphorylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C31H36N3O8P/c1-22(33-43(40,41-20-24-9-4-2-5-10-24)42-21-25-11-6-3-7-12-25)30(37)34-18-8-13-28(34)29(36)32-27(31(38)39)19-23-14-16-26(35)17-15-23/h2-7,9-12,14-17,22,27-28,35H,8,13,18-21H2,1H3,(H,32,36)(H,33,40)(H,38,39)
InChI Key:
BBPFUPDURORRTC-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NP(=O)(OCc1ccccc1)OCc1ccccc1)C
Properties
Complexity:
937
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
609.224g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
609.616g/mol
Monoisotopic Mass:
609.224g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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