CAS 3786-08-1 | N-ACETYL-L-PHENYLALANYL-3,5-DIIODO-L-TYROSINE | CAS Number 3786-08-1

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Iodo > 3786-08-1

3786-08-1 | N-ACETYL-L-PHENYLALANYL-3,5-DIIODO-L-TYROSINE

CAS No: 3786-08-1 Catalog No: AG00BY9F MDL No:MFCD00002180

Product Description

Catalog Number:

AG00BY9F

Chemical Name:

N-ACETYL-L-PHENYLALANYL-3,5-DIIODO-L-TYROSINE

CAS Number:

3786-08-1

Molecular Formula:

C20H20I2N2O5

Molecular Weight:

622.1921

MDL Number:

MFCD00002180

IUPAC Name:

(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

InChI:

InChI=1S/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)/t16-,17-/m0/s1

InChI Key:

DWIHCEZUWCRUES-IRXDYDNUSA-N

SMILES:

O=C([C@H](Cc1ccccc1)NC(=O)C)N[C@H](C(=O)O)Cc1cc(I)c(c(c1)I)O

EC Number:

223-254-6

Properties

Complexity:

573

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

621.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

622.198g/mol

Monoisotopic Mass:

621.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Integration of on-line protein digestion, peptide separation, and protein identification using pepsin-coated photopolymerized sol-gel columns and capillary electrophoresis/mass spectrometry.	Analytical chemistry 20040401