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653593-23-8 | L-Tryptophan, N-[[2-(1-naphthalenyl)-5-oxo-4(5H)-oxazolylidene]methyl]-
CAS No: 653593-23-8 Catalog No: AG006S27 MDL No:
Product Description
Catalog Number:
AG006S27
Chemical Name:
L-Tryptophan, N-[[2-(1-naphthalenyl)-5-oxo-4(5H)-oxazolylidene]methyl]-
CAS Number:
653593-23-8
Molecular Formula:
C25H19N3O4
Molecular Weight:
425.4361
IUPAC Name:
(2S)-2-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C25H19N3O4/c29-24(30)21(12-16-13-26-20-11-4-3-9-18(16)20)27-14-22-25(31)32-23(28-22)19-10-5-7-15-6-1-2-8-17(15)19/h1-11,13-14,21,26,31H,12H2,(H,29,30)/t21-/m0/s1
InChI Key:
QUPZKERBELJMLO-NRFANRHFSA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC=C1N=C(OC1=O)c1cccc2c1cccc2
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
425.138g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
425.444g/mol
Monoisotopic Mass:
425.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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