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Z-Phe-Leu-Oh

CAT: 0127-OR1029531Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
4313-73-9
Synonyms
(2S) -4-methyl-2-[[ (2S) -3-phenyl-2- (phenylmethoxycarbonylamino) propanoyl]amino]pentanoic acid
Purity
98%
Smiles
CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Chemical Information

Z-Phe-Leu
CAS Number4313-73-9
PubChem CID333351
IUPAC Name4-methyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
Molecular FormulaC23H28N2O5
Molecular Weight412.5
XLogP3.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity554
SMILES
CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H28N2O5/c1-16(2)13-20(22(27)28)24-21(26)19(14-17-9-5-3-6-10-17)25-23(29)30-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)
InChIKey
IBOXOGVHBFUSFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Z-Phe-Leu
CAS: 4313-73-9
CID: 333351
Formula: C23H28N2O5
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass412.19982200
Monoisotopic Mass412.19982200
Topological Polar Surface Area105 Ų
Heavy Atom Count30
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes