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102034-44-6 | L-Leucine, N-[(phenylmethoxy)carbonyl]glycyl-L-alanyl- (9CI)
CAS No: 102034-44-6 Catalog No: AG0006FS MDL No:
Product Description
Catalog Number:
AG0006FS
Chemical Name:
L-Leucine, N-[(phenylmethoxy)carbonyl]glycyl-L-alanyl- (9CI)
CAS Number:
102034-44-6
Molecular Formula:
C19H27N3O6
Molecular Weight:
393.4342
IUPAC Name:
4-methyl-2-[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoylamino]pentanoic acid
InChI:
InChI=1S/C19H27N3O6/c1-12(2)9-15(18(25)26)22-17(24)13(3)21-16(23)10-20-19(27)28-11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,20,27)(H,21,23)(H,22,24)(H,25,26)
InChI Key:
KPNAELTVJSMNBC-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.19g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
393.44g/mol
Monoisotopic Mass:
393.19g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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