Z-Phe-OBzl

CAT: 0926-FP111502-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FP111502-01Size:10 g

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CAS Number

60379-01-3

MDL Number

MFCD00057850

Smiles

C1=CC=C (C=C1) C[C@@H] (C (=O) OCC2=CC=CC=C2) NC (=O) OCC3=CC=CC=C3

Molecular Formula

C24H23NO4

Molecular Weight

389.44 g/mol

Controlled

Chemical Information

Z-Phe-OBzl

CAS Number	60379-01-3
PubChem CID	7016068
IUPAC Name	benzyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Molecular Formula	C24H23NO4
Molecular Weight	389.4
XLogP	4.3
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	29
Formal Charge	0
Complexity	491

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H23NO4/c26-23(28-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)25-24(27)29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)/t22-/m0/s1

InChIKey

ILHGLRRAUKTLLN-QFIPXVFZSA-N

Chemical Structure

2D Structure

CAS: 60379-01-3

CID: 7016068

Formula: C24H23NO4

MW: 389.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	389.4
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	389.16270821
Monoisotopic Mass	389.16270821
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	491
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