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827613-29-6 | L-Leucine, N-[(phenylamino)carbonyl]-L-leucyl-
CAS No: 827613-29-6 Catalog No: AG004Y53 MDL No:
Product Description
Catalog Number:
AG004Y53
Chemical Name:
L-Leucine, N-[(phenylamino)carbonyl]-L-leucyl-
CAS Number:
827613-29-6
Molecular Formula:
C19H29N3O4
Molecular Weight:
363.4513
IUPAC Name:
(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
InChI:
InChI=1S/C19H29N3O4/c1-12(2)10-15(17(23)21-16(18(24)25)11-13(3)4)22-19(26)20-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,21,23)(H,24,25)(H2,20,22,26)/t15-,16-/m0/s1
InChI Key:
QDIGQGJGJRNAHT-HOTGVXAUSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)Nc1ccccc1)C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
363.216g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
363.458g/mol
Monoisotopic Mass:
363.216g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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