Z-Phe-OH

CAT: 0024-sc-258351Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-258351Size:25 g

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CAS Number

1161-13-3

Chemical Information

Benzyloxycarbonyl-L-phenylalanine

RN given refers to (L-Phe)-isomer

CAS Number	1161-13-3
PubChem CID	70878
IUPAC Name	(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
Molecular Formula	C17H17NO4
Molecular Weight	299.32
XLogP	2.1
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	360

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1

InChIKey

RRONHWAVOYADJL-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 1161-13-3

CID: 70878

Formula: C17H17NO4

MW: 299.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.32
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	299.11575802
Monoisotopic Mass	299.11575802
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes