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144379-60-2 | L-Tryptophan, 5-hydroxy-N-(5-oxo-L-prolyl)- (9CI)
CAS No: 144379-60-2 Catalog No: AG001JEY MDL No:
Product Description
Catalog Number:
AG001JEY
Chemical Name:
L-Tryptophan, 5-hydroxy-N-(5-oxo-L-prolyl)- (9CI)
CAS Number:
144379-60-2
Molecular Formula:
C16H17N3O5
Molecular Weight:
331.3233
IUPAC Name:
(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C16H17N3O5/c20-9-1-2-11-10(6-9)8(7-17-11)5-13(16(23)24)19-15(22)12-3-4-14(21)18-12/h1-2,6-7,12-13,17,20H,3-5H2,(H,18,21)(H,19,22)(H,23,24)/t12-,13-/m0/s1
InChI Key:
SEUJHLIMBOEMGV-STQMWFEESA-N
SMILES:
OC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1c[nH]c2c1cc(O)cc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
331.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
331.328g/mol
Monoisotopic Mass:
331.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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