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114077-02-0 | Glycine, N-[N-[N-(N-L-tyrosyl-D-alanyl)glycyl]-L-phenylalanyl]- (9CI)
CAS No: 114077-02-0 Catalog No: AG000AHD MDL No:
Product Description
Catalog Number:
AG000AHD
Chemical Name:
Glycine, N-[N-[N-(N-L-tyrosyl-D-alanyl)glycyl]-L-phenylalanyl]- (9CI)
CAS Number:
114077-02-0
Molecular Formula:
C25H31N5O7
Molecular Weight:
513.5429
IUPAC Name:
2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
InChI:
InChI=1S/C25H31N5O7/c1-15(29-24(36)19(26)11-17-7-9-18(31)10-8-17)23(35)27-13-21(32)30-20(25(37)28-14-22(33)34)12-16-5-3-2-4-6-16/h2-10,15,19-20,31H,11-14,26H2,1H3,(H,27,35)(H,28,37)(H,29,36)(H,30,32)(H,33,34)
InChI Key:
ACFMXHBRDFRELI-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)NCC(=O)O)Cc1ccccc1)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.222g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
513.551g/mol
Monoisotopic Mass:
513.222g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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