CAS 20696-60-0 | L-Tryptophan, L-tryptophyl- | CAS Number 20696-60-0

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20696-60-0 | L-Tryptophan, L-tryptophyl-

CAS No: 20696-60-0 Catalog No: AG002IRO MDL No:

Product Description

Catalog Number:

AG002IRO

Chemical Name:

L-Tryptophan, L-tryptophyl-

CAS Number:

20696-60-0

Molecular Formula:

C22H22N4O3

Molecular Weight:

390.4351

IUPAC Name:

(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

InChI:

InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)/t17-,20-/m0/s1

InChI Key:

NQIHMZLGCZNZBN-PXNSSMCTSA-N

SMILES:

O=C([C@H](Cc1c[nH]c2c1cccc2)N)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2

Properties

Complexity:

601

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

390.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

390.443g/mol

Monoisotopic Mass:

390.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3

Literature

Title	Journal
Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping.	Bioorganic & medicinal chemistry 20110801
Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding.	Journal of medicinal chemistry 20060615