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Z-Phe-Ala-OH

CAT: 0127-OR1070565-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1070565-01Size:1 g
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CAS Number
21881-18-5
MDL Number
MFCD00037237
Purity
95%
Smiles
O=C(N[C@@H](C)C(O)=O)[C@H](CC1=CC=CC=C1)NC(OCC2=CC=CC=C2)=O

Chemical Information

N-Benzyloxycarbonylphenylalanylalanine

RN given refers to (L-Ala-D-Phe)-isomer

CAS Number21881-18-5
PubChem CID152128
IUPAC Name(2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Molecular FormulaC20H22N2O5
Molecular Weight370.4
XLogP1.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity499
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H22N2O5/c1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t14-,17-/m0/s1
InChIKey
LEJTXQOVOPDGHS-YOEHRIQHSA-N
Chemical Structure
2D Structure
2D structure of N-Benzyloxycarbonylphenylalanylalanine
CAS: 21881-18-5
CID: 152128
Formula: C20H22N2O5
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass370.15287181
Monoisotopic Mass370.15287181
Topological Polar Surface Area105 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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