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7389-97-1 | L-Histidine, N-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxopropyl]-
CAS No: 7389-97-1 Catalog No: AG005VXB MDL No:
Product Description
Catalog Number:
AG005VXB
Chemical Name:
L-Histidine, N-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxopropyl]-
CAS Number:
7389-97-1
Molecular Formula:
C17H16N4O5
Molecular Weight:
356.3327
IUPAC Name:
(2S)-2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C17H16N4O5/c22-14(20-13(17(25)26)7-10-8-18-9-19-10)5-6-21-15(23)11-3-1-2-4-12(11)16(21)24/h1-4,8-9,13H,5-7H2,(H,18,19)(H,20,22)(H,25,26)/t13-/m0/s1
InChI Key:
PMMWFDIRNLJLDO-ZDUSSCGKSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1c[nH]cn1)CCN1C(=O)c2c(C1=O)cccc2
EC Number:
616-029-2
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.338g/mol
Monoisotopic Mass:
356.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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