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4-Methoxyphenylazoformyl-Phe

CAT: 0926-SAA-3197-VSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-SAA-3197-VSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
396717-86-5
Synonyms
N- (4-Methoxyphenylazoformyl) -L-Phenylalanine
Smiles
COC1=CC=C (C=C1) N=NC (=O) NC (CC2=CC=CC=C2) C (=O) O
Molecular Formula
C17H17N3O4
Molecular Weight
327.33 g/mol
Controlled
No

Chemical Information

Potassium;(2S)-2-[(4-methoxyphenyl)iminocarbamoylamino]-3-phenylpropanoate
CAS Number396717-86-5
PubChem CID90472295
IUPAC Namepotassium (2S)-2-[(4-methoxyphenyl)iminocarbamoylamino]-3-phenylpropanoate
Molecular FormulaC17H16KN3O4
Molecular Weight365.42
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity447
SMILES
COC1=CC=C(C=C1)N=NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-].[K+]
InChI
InChI=1S/C17H17N3O4.K/c1-24-14-9-7-13(8-10-14)19-20-17(23)18-15(16(21)22)11-12-5-3-2-4-6-12;/h2-10,15H,11H2,1H3,(H,18,23)(H,21,22);/q;+1/p-1/t15-;/m0./s1
InChIKey
POYJZAJFICSTCH-RSAXXLAASA-M
Chemical Structure
2D Structure
2D structure of Potassium;(2S)-2-[(4-methoxyphenyl)iminocarbamoylamino]-3-phenylpropanoate
CAS: 396717-86-5
CID: 90472295
Formula: C17H16KN3O4
MW: 365.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass365.07778748
Monoisotopic Mass365.07778748
Topological Polar Surface Area103 Ų
Heavy Atom Count25
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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