CAS 13123-35-8 | L-Leucine, L-tryptophyl- | CAS Number 13123-35-8

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13123-35-8 | L-Leucine, L-tryptophyl-

CAS No: 13123-35-8 Catalog No: AG000VRT MDL No:

Product Description

Catalog Number:

AG000VRT

Chemical Name:

L-Leucine, L-tryptophyl-

CAS Number:

13123-35-8

Molecular Formula:

C17H23N3O3

Molecular Weight:

317.3828

IUPAC Name:

(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid

InChI:

InChI=1S/C17H23N3O3/c1-10(2)7-15(17(22)23)20-16(21)13(18)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15-/m0/s1

InChI Key:

LYMVXFSTACVOLP-ZFWWWQNUSA-N

SMILES:

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

Properties

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.389g/mol

Monoisotopic Mass:

317.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7

Literature

Title	Journal
Tryptophan-containing dipeptide derivatives as potent PPARgamma antagonists: design, synthesis, biological evaluation, and molecular modeling.	European journal of medicinal chemistry 20081201