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113626-30-5 | L-Tryptophan, 5-(phenylmethoxy)-
CAS No: 113626-30-5 Catalog No: AG00095V MDL No:
Product Description
Catalog Number:
AG00095V
Chemical Name:
L-Tryptophan, 5-(phenylmethoxy)-
CAS Number:
113626-30-5
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
(2S)-2-amino-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C18H18N2O3/c19-16(18(21)22)8-13-10-20-17-7-6-14(9-15(13)17)23-11-12-4-2-1-3-5-12/h1-7,9-10,16,20H,8,11,19H2,(H,21,22)/t16-/m0/s1
InChI Key:
DFGNDJBYANKHIO-INIZCTEOSA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1cc(OCc1ccccc1)cc2)N
EC Number:
217-798-3
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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