CAS 132201-33-3 | Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (αR,βS)- | CAS Number 132201-33-3

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132201-33-3 | Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (αR,βS)-

CAS No: 132201-33-3 Catalog No: AG0010DS MDL No:MFCD00274633

Product Description

Catalog Number:

AG0010DS

Chemical Name:

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (αR,βS)-

CAS Number:

132201-33-3

Molecular Formula:

C16H15NO4

Molecular Weight:

285.2946

MDL Number:

MFCD00274633

IUPAC Name:

(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid

InChI:

InChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1

InChI Key:

HYJVYOWKYPNSTK-UONOGXRCSA-N

SMILES:

O=C(c1ccccc1)N[C@H]([C@H](C(=O)O)O)c1ccccc1

UNII:

D998Q2WJCM

Properties

Complexity:

359

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.299g/mol

Monoisotopic Mass:

285.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Phenylisoserine in the gas-phase and water: Ab initio studies on neutral and zwitterion conformers.	Journal of molecular modeling 20110501
Clinical trials and progress with paclitaxel in ovarian cancer.	International journal of women's health 20100101
Cytotoxic, antiviral (in-vitro and in-vivo), immunomodulatory activity and influence on mitotic divisions of three taxol derivatives: 10-deacetyl-baccatin III, methyl (N-benzoyl-(2'R,3'S)-3'-phenylisoserinate) and N-benzoyl-(2'R,3'S)-3'-phenylisoserine.	The Journal of pharmacy and pharmacology 20050601
Characterization of an abeo-taxane: brevifoliol and derivatives.	Journal of natural products 20040501
Effect of antiproliferative agents on vascular function in normal and in vitro balloon-injured porcine coronary arteries.	European journal of pharmacology 20031114
Synthesis of biologically active taxol analogues with modified phenylisoserine side chains.	Journal of medicinal chemistry 19921030