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819864-29-4 | L-Tryptophan, N-(3-sulfopropyl)-
CAS No: 819864-29-4 Catalog No: AG004Z2X MDL No:
Product Description
Catalog Number:
AG004Z2X
Chemical Name:
L-Tryptophan, N-(3-sulfopropyl)-
CAS Number:
819864-29-4
Molecular Formula:
C14H18N2O5S
Molecular Weight:
326.3681
IUPAC Name:
(2S)-3-(1H-indol-3-yl)-2-(3-sulfopropylamino)propanoic acid
InChI:
InChI=1S/C14H18N2O5S/c17-14(18)13(15-6-3-7-22(19,20)21)8-10-9-16-12-5-2-1-4-11(10)12/h1-2,4-5,9,13,15-16H,3,6-8H2,(H,17,18)(H,19,20,21)/t13-/m0/s1
InChI Key:
OHGSQGHREYMASY-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NCCCS(=O)(=O)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
326.367g/mol
Monoisotopic Mass:
326.094g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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