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88499-28-9 | L-Leucine, N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]-
CAS No: 88499-28-9 Catalog No: AG00495P MDL No:
Product Description
Catalog Number:
AG00495P
Chemical Name:
L-Leucine, N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]-
CAS Number:
88499-28-9
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
IUPAC Name:
2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-4-methylpentanoic acid
InChI:
InChI=1S/C13H18N2O5/c1-8(2)7-9(13(19)20)14-10(16)5-6-15-11(17)3-4-12(15)18/h3-4,8-9H,5-7H2,1-2H3,(H,14,16)(H,19,20)
InChI Key:
FLPBNTWGHZXJDC-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)CCN1C(=O)C=CC1=O)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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