1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid;dihydrate

2.1.2 InChI

InChI=1S/C11H14N2O4.2H2O/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7;;/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17);2*1H2/t9-;;/m0../s1

2.1.3 InChI Key

VELZBUAWAUZDLF-WWPIYYJJSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O.O.O

2.1.5 Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CN)O.O.O

2.2 Other Identifiers

2.2.1 UNII

269373P3AW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 39630-46-1

2. Glycyltyrosine Dihydrate

3. Glycyl-l-tyrosine Dihydrate

4. L-tyrosine, Glycyl-, Dihydrate

5. L-tyrosine, N-glycyl-, Dihydrate

6. (2s)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic Acid;dihydrate

7. 269373p3aw

8. (s)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanoic Acid Dihydrate

9. Unii-269373p3aw

10. Glycyl-l-tyrosin-dihydrat

11. Glycyl Tyrosine [inci]

12. Schembl7103036

13. Glycyl-tyrosine Dihydrate

14. Dtxsid40192736

15. Chebi:177941

16. Hy-w009592a

17. Cs-15980

18. Cs-0081927

19. D74430

20. Q27254069

2.4 Create Date

2012-07-12

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₈N₂O₆
Molecular Weight	274.27 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	274.11648630 g/mol
Monoisotopic Mass	274.11648630 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

GLYCYL-L-TYROSINE DIHYDRATE

GLYCYL-L-TYROSINE DIHYDRATE

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