N-benzoyl-L-phenylalaninol - PubChem Public Chemical Database


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N-benzoyl-L-phenylalaninol - Substance Summary (SID 677383)

isolated from culture filtrate and mycelium af Aspergillus flavipes ATCC 11013; structure

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Drug and Chemical Information

Substance Information

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Drug and Chemical Information: (Total:1)

N-benzoyl-L-phenylalaninol

Data Source:

Depositor: ChemIDplus
External ID: 004503962

Properties Computed from Structure:

Molecular Weight	255.31168 [g/mol]
Molecular Formula	C₁₆H₁₇NO₂
XLogP3-AA	2.5
H-Bond Donor	2
H-Bond Acceptor	2
Rotatable Bond Count	5
Tautomer Count	2
Exact Mass	255.125929
MonoIsotopic Mass	255.125929
Topological Polar Surface Area	49.3
Heavy Atom Count	19
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	1
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
Canonical SMILES: C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC=CC=C2
InChI: InChI=1S/C16H17NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-
14/h1-10,15,18H,11-12H2,(H,17,19)

InChIKey: RFYNAVYPYXLVOM-UHFFFAOYSA-N

Substance Information:

SID 677383

Deposit Date: 2005-08-08
Modify Date: 2006-04-29

CID 100005

Create Date: 2005-03-26

Related Substances:

Same: 14 Links
Same, Connectivity: 23 Links

Similar Substances: 779 Links

ASN1

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