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827613-36-5 | L-Leucine, N-[(phenylamino)carbonyl]-L-alanyl-
CAS No: 827613-36-5 Catalog No: AG004TQ8 MDL No:
Product Description
Catalog Number:
AG004TQ8
Chemical Name:
L-Leucine, N-[(phenylamino)carbonyl]-L-alanyl-
CAS Number:
827613-36-5
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
IUPAC Name:
(2S)-4-methyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]pentanoic acid
InChI:
InChI=1S/C16H23N3O4/c1-10(2)9-13(15(21)22)19-14(20)11(3)17-16(23)18-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,19,20)(H,21,22)(H2,17,18,23)/t11-,13-/m0/s1
InChI Key:
JQEOENSJIGEOMN-AAEUAGOBSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)Nc1ccccc1)C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
321.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
321.377g/mol
Monoisotopic Mass:
321.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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