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159330-37-7 | L-Alanine, glycylglycyl-O-phosphono-L-tyrosyl- (9CI)
CAS No: 159330-37-7 Catalog No: AG001QMR MDL No:
Product Description
Catalog Number:
AG001QMR
Chemical Name:
L-Alanine, glycylglycyl-O-phosphono-L-tyrosyl- (9CI)
CAS Number:
159330-37-7
Molecular Formula:
C16H23N4O9P
Molecular Weight:
446.3490
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C16H23N4O9P/c1-9(16(24)25)19-15(23)12(20-14(22)8-18-13(21)7-17)6-10-2-4-11(5-3-10)29-30(26,27)28/h2-5,9,12H,6-8,17H2,1H3,(H,18,21)(H,19,23)(H,20,22)(H,24,25)(H2,26,27,28)/t9-,12-/m0/s1
InChI Key:
WZIIXCSVISAZAP-CABZTGNLSA-N
SMILES:
NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)OP(=O)(O)O
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
446.12g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
446.353g/mol
Monoisotopic Mass:
446.12g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
217A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6
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