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141890-59-7 | L-Aspartic acid, L-tyrosyl-L-alanyl-
CAS No: 141890-59-7 Catalog No: AG001HBF MDL No:
Product Description
Catalog Number:
AG001HBF
Chemical Name:
L-Aspartic acid, L-tyrosyl-L-alanyl-
CAS Number:
141890-59-7
Molecular Formula:
C16H21N3O7
Molecular Weight:
367.3538
IUPAC Name:
2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]butanedioic acid
InChI:
InChI=1S/C16H21N3O7/c1-8(14(23)19-12(16(25)26)7-13(21)22)18-15(24)11(17)6-9-2-4-10(20)5-3-9/h2-5,8,11-12,20H,6-7,17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)
InChI Key:
BURPTJBFWIOHEY-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
367.358g/mol
Monoisotopic Mass:
367.138g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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