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161559-67-7 | L-Tryptophan, L-cysteinyl-
CAS No: 161559-67-7 Catalog No: AG001VOB MDL No:
Product Description
Catalog Number:
AG001VOB
Chemical Name:
L-Tryptophan, L-cysteinyl-
CAS Number:
161559-67-7
Molecular Formula:
C14H17N3O3S
Molecular Weight:
307.3681
IUPAC Name:
(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C14H17N3O3S/c15-10(7-21)13(18)17-12(14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20)/t10-,12-/m0/s1
InChI Key:
SYELGNBERZZXAG-JQWIXIFHSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)N
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
307.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
307.368g/mol
Monoisotopic Mass:
307.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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