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129785-81-5 | L-Leucine, O-phosphono-L-tyrosylglycylglycyl-L-phenylalanyl-
CAS No: 129785-81-5 Catalog No: AG000TO7 MDL No:
Product Description
Catalog Number:
AG000TO7
Chemical Name:
L-Leucine, O-phosphono-L-tyrosylglycylglycyl-L-phenylalanyl-
CAS Number:
129785-81-5
Molecular Formula:
C28H38N5O10P
Molecular Weight:
635.6026
IUPAC Name:
2-[[2-[[2-[[2-[[2-amino-3-(4-phosphonooxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C28H38N5O10P/c1-17(2)12-23(28(38)39)33-27(37)22(14-18-6-4-3-5-7-18)32-25(35)16-30-24(34)15-31-26(36)21(29)13-19-8-10-20(11-9-19)43-44(40,41)42/h3-11,17,21-23H,12-16,29H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)(H,33,37)(H,38,39)(H2,40,41,42)
InChI Key:
GKOCFECWPOKROQ-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)N)C
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.236g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
635.611g/mol
Monoisotopic Mass:
635.236g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
247A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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